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Steroids and sterols

Nilestriol

Also known as Nylestriol, Nilestriolum, LY 49825

CAS 39791-20-3Formula C25H32O3Molar mass 380.53 g/mol
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Nilestriol chemical structure, C25H32O3, CAS 39791-20-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
39791-20-3
Formula
C25H32O3
Molar mass
380.53 g/mol
HS code
293723
Category
Steroids and sterols

What is Nilestriol?

Plain description, key identifiers and synonyms

Nilestriol is a chemical substance with the molecular formula C25H32O3 and a molar mass of 380.53 g/mol. Its CAS registry number is 39791-20-3. The IUPAC name is (8R,9S,13S,14S,16R,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(8R,9S,13S,14S,16R,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol
CAS number
39791-20-3 CAS number cross-checked
Molecular formula
C25H32O3
UNII
7JA3B3IALU
InChIKey
CHZJRGNDJLJLAW-RIQJQHKOSA-N
InChI
InChI=1S/C25H32O3/c1-3-25(27)23(26)15-22-21-10-8-16-14-18(28-17-6-4-5-7-17)9-11-19(16)20(21)12-13-24(22,25)2/h1,9,11,14,17,20-23,26-27H,4-8,10,12-13,15H2,2H3/t20-,21-,22+,23-,24+,25+/m1/s1
Canonical SMILES
C#CC1(O)C(O)CC2C3CCc4cc(OC5CCCC5)ccc4C3CCC21C
Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@]2(C#C)O)O)CCC4=C3C=CC(=C4)OC5CCCC5

Synonyms

  • Nylestriol
  • Nilestriolum
  • LY 49825
  • 19-Norpregna-1,3,5(10)-trien-20-yne-16,17-diol, 3-(cyclopentyloxy)-, (16alpha,17alpha)-
  • 17 alpha-ethinylestriol 3-cyclopentyl ether
  • 17 alpha-ethynylestriol 3-cyclopentyl ether
  • Nilestriol (INN)
  • Nylestriol (USAN)
  • (8R,9S,13S,14S,16R,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol
  • 17alpha-Ethynylestra-1,3,5(10)-triene-3,16alpha,17beta-triol 3-cyclopentyl ether
  • (8R,9S,13S,14S,16R,17R)-3-(cyclopentyloxy)-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16,17-diol
  • Lilly 49825
  • (16alpha,17alpha)-3-(Cyclopentyloxy)-19-norpregna-1,3,5(10)-trien-20-yne-16,17-diol
  • 3-(Cyclopentyloxy)-17alpha-ethinyl-1,3,5(10)-estratrien-16alpha,17beta-diol
  • 3-(Cyclopentyloxy)-19-nor-17alpha-pregna-1,3,5(10)trien-20-in-16alpha,17-diol
  • 3-(Cyclopentyloxy)-19-nor-17alpha-pregna-1,3,5(10)trien-20-yne-16alpha,17-diol
  • 19-nor-17-Pregna-1,3,5(10)-trien-20-yne-16,17-diol, 3-(cyclopentyloxy)-, (16alpha,17.alpha.)-
  • 19-Nor-17-pregna-1,3,5(10)-trien-20-yne-16,17-diol, 3-(cyclopentyloxy)-, (16alpha,17alpha)-

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
380.53 g/molcalc.
Exact mass
380.2351 Dacalc.
LogP (octanol/water)
4.2calc.
Topological polar surface area
49.69 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
28calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.68calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Passes (0 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, c1cc2c(cc1OC1CCCC1)CCC1C2CCC2CCCC21

c1cc2c(cc1OC1CCCC1)CCC1C2CCC2CCCC21

5 rings, 23 atoms.

8 other chemicals 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.

Nilestriol suppliers

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Nilestriol 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

Pharmacological actions

  • Estrogens

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 Nilestriol is traded under.

HS 2937.23Indicative HS code

Oestrogens and progestogens

World exports in 2024
$762M
−2.3% vs 2023, imports $693M
2019 to 2024
Top exporters
  1. China42.9%
  2. Italy18.4%
  3. Netherlands8.9%
Top importers
  1. India * partner reported12.1%
  2. United States11.0%
  3. Belgium8.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Nilestriol is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Nilestriol?

Nilestriol is a chemical substance with the molecular formula C25H32O3 and a molar mass of 380.53 g/mol. Its CAS registry number is 39791-20-3. The IUPAC name is (8R,9S,13S,14S,16R,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol.

What is the CAS number of Nilestriol?

The CAS registry number of Nilestriol is 39791-20-3.

What is the molecular formula and weight of Nilestriol?

The molecular formula of Nilestriol is C25H32O3 and its molar mass is 380.53 g/mol.

What is Nilestriol used for?

Known uses and roles of Nilestriol include estrogens.

Is Nilestriol hazardous?

No GHS hazard classification for Nilestriol 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 Nilestriol?

Nilestriol is usually classified under HS code 293723 (Oestrogens and progestogens). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Nilestriol?

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

What is the price of Nilestriol?

Suppliers quote Nilestriol 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 Nilestriol

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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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