[email protected]
CAS 1175-06-0 6-KETOCHOLESTANOL molecular structure lightbox
CAS RN: 1175-06-0

6-KETOCHOLESTANOL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250810 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1175-06-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1175-06-0 / (3S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

6-Ketocholestanol | 6-Oxocholestanol | Cholestan-6-one, 3-hydroxy-, (3beta,5alpha)-

Standard CAS: 1175-06-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1175-06-0
Multi CAS
Yes
Molecular Formula
C27H46O2
Molecular Weight
402.700000
Exact Mass
402.349781
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,26-,27-/m1/s1
InChIKey
JQMQKOQOLPGBBE-ZNCJEFCDSA-N
Synonyms
6-Ketocholestanol 6-Oxocholestanol Cholestan-6-one, 3-hydroxy-, (3beta,5alpha)- 5alpha-Cholestan-3beta-ol-6-one 2V12D4A742

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.96
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
119.47
TPSA
37.3

LogP / Solubility

WLOGP
6.65
MLOGP
5.87
XLogP3
7.7
Consensus LogP
6.74
Log S (ESOL)
-6.19
Class (ESOL)
Insoluble
Log S (Ali)
-7.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.39
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5

Customers Also Viewed

Get In Touch

Contact Us