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Orexin A

Also known as orexin-A, Orexine A, Hypocretin 1

CAS 205599-75-3Formula C152H243N47O44S4Molar mass 3,561.17 g/mol
2 suppliers listed
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Orexin A chemical structure, C152H243N47O44S4, CAS 205599-75-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
205599-75-3
Formula
C152H243N47O44S4
Molar mass
3,561.17 g/mol
HS code
293499
Category
Peptides

What is Orexin A?

Plain description, key identifiers and synonyms

Orexin A is a neuropeptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(1R,4S,7S,10S,13S,16R,21R,24S,31R)-7-(4-aminobutyl)-10-(3-amino-3-oxopropyl)-13-(3-carbamimidamidopropyl)-31-[[(2S)-3-carboxy-2-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-[(1R)-1-hydroxyethyl]-24-(hydroxymethyl)-3,6,9,12,15,23,26,32-octaoxo-18,19,28,29-tetrathia-2,5,8...
CAS number
205599-75-3
Molecular formula
C152H243N47O44S4
UNII
8RDY08V4VC
InChIKey
OFNHNCAUVYOTPM-IIIOAANCSA-N
InChI
InChI=1S/C152H243N47O44S4/c1-20-76(14)118(146(239)188-96(51-74(10)11)138(231)197-119(80(18)201)147(240)180-92(121(156)214)47-70(2)3)195-115(209)62-166-123(216)78(16)171-124(217)79(17)172-131(224)99(55-84-59-162-69-169-84)186-136(229)100(56-111(155)205)174-114(208)61-165-122(215)77(15)170-113(207)60-167-125(218)98(54-83-58-161-68-168-83)185-134(227)95(50-73(8)9)183-132(225)93(48-71(4)5)182-129(222)90(38-41-116(210)211)179-135(228)97(53-82-32-34-85(203)35-33-82)184-133(226)94(49-72(6)7)181-127(220)88(29-24-44-164-152(159)160)177-140(233)104-64-244-245-65-105-141(234)176-87(28-23-43-163-151(157)158)126(219)178-89(36-39-110(154)204)128(221)175-86(27-21-22-42-153)130(223)196-120(81(19)202)148(241)194-107(142(235)190-103(63-200)139(232)192-104)67-247-246-66-106(143(236)193-105)191-137(230)101(57-117(212)213)187-144(237)108-30-26-46-199(108)150(243)102(52-75(12)13)189-145(238)109-31-25-45-198(109)149(242)91-37-40-112(206)173-91/h32-35,58-59,68-81,86-109,118-120,200-203H,20-31,36-57,60-67,153H2,1-19H3,(H2,154,204)(H2,155,205)(H2,156,214)(H,161,168)(H,162,169)(H,165,215)(H,166,216)(H,167,218)(H,170,207)(H,171,217)(H,172,224)(H,173,206)(H,174,208)(H,175,221)(H,176,234)(H,177,233)(H,178,219)(H,179,228)(H,180,240)(H,181,220)(H,182,222)(H,183,225)(H,184,226)(H,185,227)(H,186,229)(H,187,237)(H,188,239)(H,189,238)(H,190,235)(H,191,230)(H,192,232)(H,193,236)(H,194,241)(H,195,209)(H,196,223)(H,197,231)(H,210,211)(H,212,213)(H4,157,158,163)(H4,159,160,164)/t76-,77-,78-,79-,80+,81+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,118-,119-,120-/m0/s1
Canonical SMILES
CCC(C)C(NC(=O)CNC(=O)C(C)NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(C)NC(=O)CNC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C1CSSCC2NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C3CCCN3C(=O)C(CC(C)C)NC(=O)C3CCCN3C(=O)C3CCC(=O)N3)CSSCC(NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC2=O)C(=O)NC(CO)C(=O)N1)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(N)=O)C(C)O
Isomeric SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CSSC[C@H]5C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N5)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC(C)C)NC(=O)[C@@H]7CCCN7C(=O)[C@@H]8CCC(=O)N8)C(=O)N[C@H](C(=O)N4)CO)[C@@H](C)O)CCCCN)CCC(=O)N)CCCNC(=N)N

Synonyms

  • orexin-A
  • Orexine A
  • Hypocretin 1
  • hypocretin-1
  • Orexin A (human, rat, mouse)
  • Oroxin-A
  • Orexin-A (Human)
  • XPLPDCCRQKTCSCRLYELLHGAGNHAAGILTL (modifications: C-terminal amide, X-1 = Glp, Disulfide bonds: 6-12, 7-14)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
3,561.17 g/molcalc.
Exact mass
3,558.7105 Dacalc.
LogP (octanol/water)
-14.89calc.
Topological polar surface area
1,435 Ųcalc.
Hydrogen bond donors
49calc.
Hydrogen bond acceptors
51calc.
Rotatable bonds
92calc.
Heavy atoms
247calc.
Rings
8calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.66calc.
Formal charge
0calc.
Stereocentres
33calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C1CSSCC2NC(=O)C(NC(=O)CNC(=O)C3CCCN3C(=O)CNC(=O)C3CCCN3C(=O)C3CCC(=O)N3)CSSCC(NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC2=O)C(=O)NCC(=O)N1)NCCc1cnc[nH]1

O=C(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C1CSSCC2NC(=O)C(NC(=O)CNC(=O)C3CCCN3C(=O)CNC(=O)C3CCCN3C(=O)C3CCC(=O)N3)CSSCC(NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC2=O)C(=O)NCC(=O)N1)NCCc1cnc[nH]1

8 rings, 139 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Orexin A suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 2 suppliers
  • Adachibio Inc.
    JapanUnclaimed profile
    Orexin A, humanGrade, purity and minimum order on request
    Price on request
    View
  • Hello Bio
    United Kingdom, AvonmouthUnclaimed profile
    Orexin AGrade, purity and minimum order on request
    Price on request
    View

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 2 countries

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Orexin A price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Orexin A is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Orexin A is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orexin A, based on the data on this page

What is Orexin A?

Orexin A is a neuropeptide.

What is the CAS number of Orexin A?

The CAS registry number of Orexin A is 205599-75-3.

What is the molecular formula and weight of Orexin A?

The molecular formula of Orexin A is C152H243N47O44S4 and its molar mass is 3,561.17 g/mol.

Is Orexin A hazardous?

No GHS hazard classification for Orexin A is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Orexin A?

Orexin A is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orexin A?

CompoundList lists 2 suppliers of Orexin A in United Kingdom and Japan. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Orexin A?

Suppliers quote Orexin A on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Orexin A

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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