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Steroids and sterols

Win 44577

Also known as 2'H-Pregna-2,4-dien-20-yno(3,2-c)pyrazole-11,17-diol, 2'-(4-fluorophenyl)-, (11beta,17alpha)-, 2'-(4-Fluorophenyl)2'H-pregna-2,4-dien-20-yno(3,2c)pyrazol-11,17-diol, (1S,2R,13S,14S,17R,18S,20S)-17-Ethynyl-7-(4-fluorophenyl)-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene-17,20-diol

CAS 98640-98-3Formula C28H31FN2O2Molar mass 446.57 g/mol
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Win 44577 chemical structure, C28H31FN2O2, CAS 98640-98-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
98640-98-3
Formula
C28H31FN2O2
Molar mass
446.57 g/mol
HS code
293399
Category
Steroids and sterols

What is Win 44577?

Plain description, key identifiers and synonyms

Win 44577 is a chemical substance with the molecular formula C28H31FN2O2 and a molar mass of 446.57 g/mol. Its CAS registry number is 98640-98-3. The IUPAC name is (1S,2R,13S,14S,17R,18S,20S)-17-ethynyl-7-(4-fluorophenyl)-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene-17,20-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,13S,14S,17R,18S,20S)-17-ethynyl-7-(4-fluorophenyl)-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene-17,20-diol
CAS number
98640-98-3 CAS number cross-checked
Molecular formula
C28H31FN2O2
InChIKey
CPIBWHAJWLRDNO-JNIWZSOOSA-N
InChI
InChI=1S/C28H31FN2O2/c1-4-28(33)12-11-22-21-10-5-18-13-23-17(16-30-31(23)20-8-6-19(29)7-9-20)14-26(18,2)25(21)24(32)15-27(22,28)3/h1,6-9,13,16,21-22,24-25,32-33H,5,10-12,14-15H2,2-3H3/t21-,22-,24-,25+,26-,27-,28-/m0/s1
Canonical SMILES
C#CC1(O)CCC2C3CCC4=Cc5c(cnn5-c5ccc(F)cc5)CC4(C)C3C(O)CC21C
Isomeric SMILES
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NN5C6=CC=C(C=C6)F)O

Synonyms

  • 2'H-Pregna-2,4-dien-20-yno(3,2-c)pyrazole-11,17-diol, 2'-(4-fluorophenyl)-, (11beta,17alpha)-
  • 2'-(4-Fluorophenyl)2'H-pregna-2,4-dien-20-yno(3,2c)pyrazol-11,17-diol
  • (1S,2R,13S,14S,17R,18S,20S)-17-Ethynyl-7-(4-fluorophenyl)-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene-17,20-diol
  • 1-Ethynyl-7-(4-fluorophenyl)-10a,12a-dimethyl-1,2,3,3a,3b,4,5,7,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[5,6]naphtho[1,2-f]indazole-1,11-diol

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
446.57 g/molcalc.
Exact mass
446.237 Dacalc.
LogP (octanol/water)
4.53calc.
Topological polar surface area
58.28 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
33calc.
Rings
6calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.54calc.
Formal charge
0calc.
Stereocentres
7calc.
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, C1=C2CCC3C4CCCC4CCC3C2Cc2cnn(-c3ccccc3)c21

C1=C2CCC3C4CCCC4CCC3C2Cc2cnn(-c3ccccc3)c21

6 rings, 26 atoms.

4 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.

Win 44577 suppliers

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Win 44577 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 Win 44577 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for Win 44577 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Win 44577, based on the data on this page

What is Win 44577?

Win 44577 is a chemical substance with the molecular formula C28H31FN2O2 and a molar mass of 446.57 g/mol. Its CAS registry number is 98640-98-3. The IUPAC name is (1S,2R,13S,14S,17R,18S,20S)-17-ethynyl-7-(4-fluorophenyl)-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene-17,20-diol.

What is the CAS number of Win 44577?

The CAS registry number of Win 44577 is 98640-98-3.

What is the molecular formula and weight of Win 44577?

The molecular formula of Win 44577 is C28H31FN2O2 and its molar mass is 446.57 g/mol.

Is Win 44577 hazardous?

No GHS hazard classification for Win 44577 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 Win 44577?

Win 44577 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Win 44577?

Post a free request on CompoundList and suppliers of Win 44577 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Win 44577?

Suppliers quote Win 44577 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 Win 44577

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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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