[email protected]
CAS 957229-52-6 5β-Dutasteride molecular structure lightbox
CAS RN: 957229-52-6

5β-Dutasteride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260307 5mg / 50mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS957229-52-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

957229-52-6 / 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: 957229-52-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
957229-52-6
Multi CAS
Yes
Molecular Formula
C27F6H30N2O2
Molecular Weight
528.500000
Exact Mass
528.221147
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-LKOHVCGWSA-N

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

Customers Also Viewed

Get In Touch

Contact Us