CAS RN: 164656-23-9

Dutasteride

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12 package records12 with current stock3 grade groups
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Batchno.20250331 10g In stock Shandong Inquiry
Batchno.20250705 250mg In stock Shanghai, Shandong, Guangdong Inquiry
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Batchno.20260508 500mg In stock Shanghai, Shandong, Chongqing Inquiry
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Batchno.20260613 1ml In stock Inquiry
  • Product code: ICTD5973
  • Purity/Analytical Methods: >98.0%(HPLC)
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164656-23-9 / (1S,3aS,3bS,5aR,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

Standard CAS: 164656-23-9 Multi CAS: No

Basic Information

CAS
164656-23-9
Multi CAS
No
Molecular Formula
C27H30F6N2O2
Molecular Weight
528.500000
Exact Mass
528.221147
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
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
InChIKey
JWJOTENAMICLJG-QWBYCMEYSA-N

Physical Properties

Melting Point
242-250
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
124.02
TPSA
58.2

LogP / Solubility

WLOGP
6.58
MLOGP
5.83
XLogP3
5.4
Consensus LogP
5.94
Log S (ESOL)
-7.25
Class (ESOL)
Insoluble
Log S (Ali)
-8.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.28

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H351 (15.8%): Suspected of causing cancer [Warning Carcinogenicity] H360 (84.2%): May damage fertility or the unborn child [Danger Reproductive toxicity] H360FD (10.5%): May damage fertility; May damage the unborn child [Danger Reproductive toxicity] H410 (31.6%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H412 (52.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P273, P280, P318, P391, P405, and P501

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