CAS RN: 86377-53-9
(24E)-3α-Hydroxy-15α-acetoxylanosta-7,9(11),24-triene-26-oic acid
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.20260509 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS86377-53-9
- Purity/Analytical Methods: >99.0%
86377-53-9 / (E,6R)-6-[(3R,10S,13R,14R,15S,17R)-15-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Basic Information
CAS
86377-53-9
Multi CAS
Yes
Molecular Formula
C32H48O5
Molecular Weight
512.700000
Exact Mass
512.350175
InChI
InChI=1S/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24-,25+,26-,27+,30-,31-,32-/m1/s1
InChIKey
YCWGPALSXRBKTM-XGNRZNIMSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
145.68
TPSA
83.83
LogP / Solubility
WLOGP
6.86
MLOGP
6.08
XLogP3
6.5
Consensus LogP
6.48
Log S (ESOL)
-6.95
Class (ESOL)
Insoluble
Log S (Ali)
-8.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.98
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5
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