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Heterocyclic building blocks

Acyldepsipeptide 2

Also known as ADEP2

CAS 502965-07-3Formula C41H56F2N6O8Molar mass 798.93 g/mol
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Acyldepsipeptide 2 chemical structure, C41H56F2N6O8, CAS 502965-07-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
502965-07-3
Formula
C41H56F2N6O8
Molar mass
798.93 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Acyldepsipeptide 2?

Plain description, key identifiers and synonyms

3-Cylcohexylpropanoic acid [(S)-2-(3,5-difluorophenyl)-1-((3S,9S,13S,15R,19S,22S)-15,19-Dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetraaza-tetracyclo[20.4.0.03,7.013,17] hexacos-9-ylcarbamoyl)-ethyl]-amide has been reported in Streptomyces hawaiiensis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-(3-cyclohexylpropanoylamino)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide
CAS number
502965-07-3
Molecular formula
C41H56F2N6O8
InChIKey
JMMFATBRTRMMEY-OSVOSDFASA-N
InChI
InChI=1S/C41H56F2N6O8/c1-24-17-34-41(56)57-23-31(46-36(51)30(20-27-18-28(42)21-29(43)19-27)45-35(50)14-13-26-9-4-3-5-10-26)39(54)48-16-8-12-33(48)40(55)47-15-7-6-11-32(47)37(52)44-25(2)38(53)49(34)22-24/h18-19,21,24-26,30-34H,3-17,20,22-23H2,1-2H3,(H,44,52)(H,45,50)(H,46,51)/t24-,25+,30+,31+,32+,33+,34+/m1/s1
Canonical SMILES
CC1CC2C(=O)OCC(NC(=O)C(Cc3cc(F)cc(F)c3)NC(=O)CCC3CCCCC3)C(=O)N3CCCC3C(=O)N3CCCCC3C(=O)NC(C)C(=O)N2C1
Isomeric SMILES
C[C@@H]1C[C@H]2C(=O)OC[C@@H](C(=O)N3CCC[C@H]3C(=O)N4CCCC[C@H]4C(=O)N[C@H](C(=O)N2C1)C)NC(=O)[C@H](CC5=CC(=CC(=C5)F)F)NC(=O)CCC6CCCCC6

Synonyms

  • ADEP2

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
798.93 g/molcalc.
Exact mass
798.4128 Dacalc.
LogP (octanol/water)
2.51calc.
Topological polar surface area
174.5 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
8calc.
Heavy atoms
57calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.68calc.
Formal charge
0calc.
Stereocentres
7calc.
Lipinski rule of five
Passes (1 violation)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(CCC1CCCCC1)NC(Cc1ccccc1)C(=O)NC1COC(=O)C2CCCN2C(=O)CNC(=O)C2CCCCN2C(=O)C2CCCN2C1=O

O=C(CCC1CCCCC1)NC(Cc1ccccc1)C(=O)NC1COC(=O)C2CCCN2C(=O)CNC(=O)C2CCCCN2C(=O)C2CCCN2C1=O

6 rings, 53 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.

Acyldepsipeptide 2 suppliers

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Acyldepsipeptide 2 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

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 Acyldepsipeptide 2 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 Acyldepsipeptide 2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Acyldepsipeptide 2, based on the data on this page

What is Acyldepsipeptide 2?

3-Cylcohexylpropanoic acid [(S)-2-(3,5-difluorophenyl)-1-((3S,9S,13S,15R,19S,22S)-15,19-Dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetraaza-tetracyclo[20.4.0.03,7.013,17] hexacos-9-ylcarbamoyl)-ethyl]-amide has been reported in Streptomyces hawaiiensis.

What is the CAS number of Acyldepsipeptide 2?

The CAS registry number of Acyldepsipeptide 2 is 502965-07-3.

What is the molecular formula and weight of Acyldepsipeptide 2?

The molecular formula of Acyldepsipeptide 2 is C41H56F2N6O8 and its molar mass is 798.93 g/mol.

What is Acyldepsipeptide 2 used for?

Known uses and roles of Acyldepsipeptide 2 include building blocks in research and laboratory.

Is Acyldepsipeptide 2 hazardous?

No GHS hazard classification for Acyldepsipeptide 2 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 Acyldepsipeptide 2?

Acyldepsipeptide 2 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 Acyldepsipeptide 2?

Post a free request on CompoundList and suppliers of Acyldepsipeptide 2 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Acyldepsipeptide 2?

Suppliers quote Acyldepsipeptide 2 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 Acyldepsipeptide 2

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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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