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Steroids and sterols

Allopregnane

Also known as 5alpha-Pregnane, Pregnane, (5alpha)-, (5R,8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

CAS 641-85-0Formula C21H36Molar mass 288.52 g/molEC 211-378-3
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Allopregnane chemical structure, C21H36, CAS 641-85-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
641-85-0
Formula
C21H36
Molar mass
288.52 g/mol
EC number
211-378-3
HS code
290219
Category
Steroids and sterols

What is Allopregnane?

Plain description, key identifiers and synonyms

5alpha-pregnane is a C21-steroid and a pregnane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5R,8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CAS number
641-85-0 CAS number cross-checked
EC number
211-378-3
Molecular formula
C21H36
UNII
ZTF5KN7S9R
InChIKey
JWMFYGXQPXQEEM-GCOKGBOCSA-N
InChI
InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1
Canonical SMILES
CCC1CCC2C3CCC4CCCCC4(C)C3CCC12C
Isomeric SMILES
CC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4)C)C

Synonyms

  • 5alpha-Pregnane
  • Pregnane, (5alpha)-
  • (5R,8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
  • 5-alpha-Pregnane
  • (1S,3aS,3bS,5aR,9aS,9bS,11aR)-1-ethyl-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene
  • Pregnane #
  • 5a-pregnane
  • 5a(H)-Pregnane

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
288.52 g/molcalc.
Exact mass
288.2817 Dacalc.
LogP (octanol/water)
6.45calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
1calc.
Heavy atoms
21calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
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, C1CCC2C(C1)CCC1C3CCCC3CCC21

C1CCC2C(C1)CCC1C3CCCC3CCC21

4 rings, 17 atoms.

1,694 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS classification
Hazard pictograms

Hazard statements

  • H413May cause long lasting harmful effects to aquatic life.
Precautionary statements (2)
  • P273Avoid release to the environment.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Allopregnane suppliers

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Allopregnane price

Indicative price range per kg from live supplier offers

No published prices right now

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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 Allopregnane is traded under.

HS 2902.19Indicative HS code

Cyclanes, cyclenes and cycloterpenes, other

World exports in 2024
$979M
+24.3% vs 2023, imports $1B
2019 to 2024
Top exporters
  1. China23.4%
  2. United States20.6%
  3. Germany13.6%
Top importers
  1. India * partner reported9.9%
  2. United States9.8%
  3. South Korea9.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Allopregnane, based on the data on this page

What is Allopregnane?

5alpha-pregnane is a C21-steroid and a pregnane.

What is the CAS number of Allopregnane?

The CAS registry number of Allopregnane is 641-85-0.

What is the molecular formula and weight of Allopregnane?

The molecular formula of Allopregnane is C21H36 and its molar mass is 288.52 g/mol.

Is Allopregnane hazardous?

Allopregnane has a GHS hazard classification. Main hazards: may cause long lasting harmful effects to aquatic life. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Allopregnane?

Allopregnane is usually classified under HS code 290219 (Cyclanes, cyclenes and cycloterpenes, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Allopregnane?

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What is the price of Allopregnane?

Suppliers quote Allopregnane 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 Allopregnane

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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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