CAS RN: 24513-63-1
6alpha-Hydroxypolyporenic acid C
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.20250319 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS24513-63-1
- Purity/Analytical Methods: >99.0%
24513-63-1 / (2R)-2-[(5R,6S,10S,13R,14R,16R,17R)-6,16-dihydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
Basic Information
CAS
24513-63-1
Multi CAS
No
Molecular Formula
C31H46O5
Molecular Weight
498.700000
Exact Mass
498.334525
SMILES
CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=C[C@@H]([C@@H]4[C@@]3(CCC(=O)C4(C)C)C)O)C)C)O)C(=O)O
InChI
InChI=1S/C31H46O5/c1-17(2)18(3)9-10-19(27(35)36)25-23(33)16-31(8)21-15-22(32)26-28(4,5)24(34)12-13-29(26,6)20(21)11-14-30(25,31)7/h11,15,17,19,22-23,25-26,32-33H,3,9-10,12-14,16H2,1-2,4-8H3,(H,35,36)/t19-,22+,23-,25+,26+,29-,30-,31+/m1/s1
InChIKey
NRSIOSASQDHZSI-OTNSLKBZSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
0.74
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
141.07
TPSA
94.83
LogP / Solubility
WLOGP
5.72
MLOGP
5.07
XLogP3
4.9
Consensus LogP
5.23
Log S (ESOL)
-6.14
Class (ESOL)
Insoluble
Log S (Ali)
-7.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.37
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)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5
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