![CAS 50673-97-7 17-(1,5-DIMETHYLHEXYL)-3-HYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,9,10,11,12,13,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-15-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/50673-97-7.gif)
CAS RN: 50673-97-7
17-(1,5-DIMETHYLHEXYL)-3-HYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,9,10,11,12,13,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-15-ONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250816 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS50673-97-7
- Purity/Analytical Methods: >99.0%
50673-97-7 / 3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
Basic Information
CAS
50673-97-7
Multi CAS
Yes
Molecular Formula
C27H44O2
Molecular Weight
400.600000
Exact Mass
400.334131
InChI
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)23-16-24(29)25-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h17-20,22-23,28H,6-16H2,1-5H3/t18-,19+,20+,22+,23-,26+,27-/m1/s1
InChIKey
LINVVMHRTUSXHL-GGVPDPBRSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.89
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
119.51
TPSA
37.3
LogP / Solubility
WLOGP
6.71
MLOGP
5.93
XLogP3
7.1
Consensus LogP
6.58
Log S (ESOL)
-6.22
Class (ESOL)
Insoluble
Log S (Ali)
-7.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.43
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)
-0.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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