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CAS 104239-97-6 3-Oxo-4-aza-5α-androst-1-ene-17β-carboxylic Acid molecular structure lightbox
CAS RN: 104239-97-6

3-Oxo-4-aza-5α-androst-1-ene-17β-carboxylic Acid

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250616 1g In stock Inquiry
Batchno.20260119 25g In stock Inquiry
Batchno.20260516 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260505 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-005995
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Verified Factory Data

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Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 0.25g, 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 104239-97-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 1 In Stock Hong Kong Inquiry
10g ≥98% 1 In Stock Shenzhen Inquiry
0.25g ≥98% 0 Out of Stock Hong Kong Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

104239-97-6 / (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid

Dutasteride acid | 2E6A626D4R | (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid

Standard CAS: 104239-97-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104239-97-6
Multi CAS
Yes
Molecular Formula
C19H27NO3
Molecular Weight
317.400000
Exact Mass
317.199094
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)O)CC[C@@H]4[C@@]3(C=CC(=O)N4)C
InChI
InChI=1S/C19H27NO3/c1-18-9-7-13-11(12(18)4-5-14(18)17(22)23)3-6-15-19(13,2)10-8-16(21)20-15/h8,10-15H,3-7,9H2,1-2H3,(H,20,21)(H,22,23)/t11-,12-,13-,14+,15+,18-,19+/m0/s1
InChIKey
FDESQZBVTKLIQN-MLGOENBGSA-N
Synonyms
Dutasteride acid 2E6A626D4R (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid DTXSID001238002 3-Oxo-4-aza-5alpha-androst-1-ene-17beta-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.79
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
86.58
TPSA
66.4

LogP / Solubility

WLOGP
2.98
MLOGP
2.64
XLogP3
2.3
Consensus LogP
2.64
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral] H361 (95%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501

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