CAS RN: 514-47-6
euphol
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251018 | 10mg | Out of stock | Inquiry |
- Product code: starshine_CAS514-47-6
- Purity/Analytical Methods: >99.0%
514-47-6 / 4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Basic Information
CAS
514-47-6
Multi CAS
Yes
Molecular Formula
C30H50O
Molecular Weight
426.700000
Exact Mass
426.386166
InChI
InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1
InChIKey
CAHGCLMLTWQZNJ-WZLOIPHISA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.87
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
132.88
TPSA
20.23
LogP / Solubility
WLOGP
8.48
MLOGP
7.49
XLogP3
8.9
Consensus LogP
8.29
Log S (ESOL)
-7.56
Class (ESOL)
Insoluble
Log S (Ali)
-9.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.95
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)
0.7
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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