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Screening compounds

5-beta-Dutasteride

Also known as 5beta-Dutasteride, 5|A-?Dutasteride, 5b-Dutasteride

CAS 957229-52-6Formula C27H30F6N2O2Molar mass 528.54 g/mol
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5-beta-Dutasteride chemical structure, C27H30F6N2O2, CAS 957229-52-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
957229-52-6
Formula
C27H30F6N2O2
Molar mass
528.54 g/mol
HS code
293379
Category
Screening compounds

What is 5-beta-Dutasteride?

Plain description, key identifiers and synonyms

5-beta-Dutasteride is a chemical substance with the molecular formula C27H30F6N2O2 and a molar mass of 528.54 g/mol. Its CAS registry number is 957229-52-6. The IUPAC name is (1S,3aS,3bS,5aS,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,3aS,3bS,5aS,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CAS number
957229-52-6
Molecular formula
C27H30F6N2O2
UNII
QC5T8YXW43
InChIKey
JWJOTENAMICLJG-LKOHVCGWSA-N
InChI
InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21-,24-,25+/m0/s1
Canonical SMILES
CC12C=CC(=O)NC1CCC1C2CCC2(C)C(C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CCC12
Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CC[C@H]5[C@@]3(C=CC(=O)N5)C

Synonyms

  • 5beta-Dutasteride
  • 5|A-?Dutasteride
  • 5b-Dutasteride
  • 5|A-Dutasteride
  • 5??-?Dutasteride
  • 5|A-Dutasteride Impurity

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
528.54 g/molcalc.
Exact mass
528.2211 Dacalc.
LogP (octanol/water)
6.58calc.
Topological polar surface area
58.2 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
37calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.63calc.
Formal charge
0calc.
Stereocentres
7calc.
Lipinski rule of five
Fails (2 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, O=C1C=CC2C(CCC3C2CCC2C(C(=O)Nc4ccccc4)CCC23)N1

O=C1C=CC2C(CCC3C2CCC2C(C(=O)Nc4ccccc4)CCC23)N1

5 rings, 27 atoms.

7 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.

5-beta-Dutasteride suppliers

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5-beta-Dutasteride 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 5-beta-Dutasteride is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

The HS code shown for 5-beta-Dutasteride is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 5-beta-Dutasteride, based on the data on this page

What is 5-beta-Dutasteride?

5-beta-Dutasteride is a chemical substance with the molecular formula C27H30F6N2O2 and a molar mass of 528.54 g/mol. Its CAS registry number is 957229-52-6.

What is the CAS number of 5-beta-Dutasteride?

The CAS registry number of 5-beta-Dutasteride is 957229-52-6.

What is the molecular formula and weight of 5-beta-Dutasteride?

The molecular formula of 5-beta-Dutasteride is C27H30F6N2O2 and its molar mass is 528.54 g/mol.

What is 5-beta-Dutasteride used for?

Known uses and roles of 5-beta-Dutasteride include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 5-beta-Dutasteride hazardous?

No GHS hazard classification for 5-beta-Dutasteride 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 5-beta-Dutasteride?

5-beta-Dutasteride is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 5-beta-Dutasteride?

Post a free request on CompoundList and suppliers of 5-beta-Dutasteride will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 5-beta-Dutasteride?

Suppliers quote 5-beta-Dutasteride 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 5-beta-Dutasteride

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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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