![CAS 560-66-7 (2R)-2-[(3S,5S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3 ,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-m ethyl-5-methylidene-heptanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/560-66-7.gif)
CAS RN: 560-66-7
(2R)-2-[(3S,5S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3 ,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-m ethyl-5-methylidene-heptanoic acid
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260214 | 5mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS560-66-7
- Purity/Analytical Methods: >99.0%
560-66-7 / (2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
Basic Information
CAS
560-66-7
Multi CAS
Yes
Molecular Formula
C31H50O3
Molecular Weight
470.700000
Exact Mass
470.375995
InChI
InChI=1S/C31H50O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h19,21-22,25-26,32H,3,9-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,26+,29-,30-,31+/m1/s1
InChIKey
UGMQOYZVOPASJF-OXUZYLMNSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.84
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
139.39
TPSA
57.53
LogP / Solubility
WLOGP
7.79
MLOGP
6.89
XLogP3
8
Consensus LogP
7.56
Log S (ESOL)
-7.27
Class (ESOL)
Insoluble
Log S (Ali)
-9.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.91
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)
-0.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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