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Screening compounds

SP-111

Also known as SP 111, 4-Morpholinebutanoic acid, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-yl ester, (6aR-trans)-, SP 111A

CAS 55602-38-5Formula C29H43NO4Molar mass 469.67 g/mol
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SP-111 chemical structure, C29H43NO4, CAS 55602-38-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
55602-38-5
Formula
C29H43NO4
Molar mass
469.67 g/mol
HS code
293499
Category
Screening compounds

What is SP-111?

Plain description, key identifiers and synonyms

SP-111 is a chemical substance with the molecular formula C29H43NO4 and a molar mass of 469.67 g/mol. Its CAS registry number is 55602-38-5. The IUPAC name is [(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-morpholin-4-ylbutanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-morpholin-4-ylbutanoate
CAS number
55602-38-5 CAS number cross-checked
Molecular formula
C29H43NO4
UNII
77FJY4KZ74
InChIKey
HAQNKTBQOIAWDB-DNQXCXABSA-N
InChI
InChI=1S/C29H43NO4/c1-5-6-7-9-22-19-25(33-27(31)10-8-13-30-14-16-32-17-15-30)28-23-18-21(2)11-12-24(23)29(3,4)34-26(28)20-22/h18-20,23-24H,5-17H2,1-4H3/t23-,24-/m1/s1
Canonical SMILES
CCCCCc1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Isomeric SMILES
CCCCCC1=CC2=C([C@@H]3C=C(CC[C@H]3C(O2)(C)C)C)C(=C1)OC(=O)CCCN4CCOCC4

Synonyms

  • SP 111
  • 4-Morpholinebutanoic acid, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-yl ester, (6aR-trans)-
  • SP 111A
  • [(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-morpholin-4-ylbutanoate
  • THC morpholinylbutyrate
  • (6aR,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-yl 4-(morpholin-4-yl)butanoate
  • 4-Morpholinebutanoic acid, (6ar,10ar)-6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-yl ester

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
469.67 g/molcalc.
Exact mass
469.3192 Dacalc.
LogP (octanol/water)
6.05calc.
Topological polar surface area
48 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
9calc.
Heavy atoms
34calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.69calc.
Formal charge
0calc.
Stereocentres
2calc.
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(CCCN1CCOCC1)Oc1cccc2c1C1C=CCCC1CO2

O=C(CCCN1CCOCC1)Oc1cccc2c1C1C=CCCC1CO2

4 rings, 26 atoms.

1 other chemical share 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.

SP-111 suppliers

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SP-111 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 SP-111 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 SP-111 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about SP-111, based on the data on this page

What is SP-111?

SP-111 is a chemical substance with the molecular formula C29H43NO4 and a molar mass of 469.67 g/mol. Its CAS registry number is 55602-38-5. The IUPAC name is [(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 4-morpholin-4-ylbutanoate.

What is the CAS number of SP-111?

The CAS registry number of SP-111 is 55602-38-5.

What is the molecular formula and weight of SP-111?

The molecular formula of SP-111 is C29H43NO4 and its molar mass is 469.67 g/mol.

What is SP-111 used for?

Known uses and roles of SP-111 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is SP-111 hazardous?

No GHS hazard classification for SP-111 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 SP-111?

SP-111 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 SP-111?

Post a free request on CompoundList and suppliers of SP-111 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of SP-111?

Suppliers quote SP-111 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 SP-111

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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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