CAS RN: 102607-22-7
(24E)-15α,23-Dihydroxy-3,11-dioxo-5α-lanosta-8,24-dien-26-oic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251106 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS102607-22-7
- Purity/Analytical Methods: >99.0%
102607-22-7 / (E,4S,6R)-4-hydroxy-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
4-hydroxy-6-(15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
Basic Information
CAS
102607-22-7
Multi CAS
Yes
Molecular Formula
C30H44O6
Molecular Weight
500.700000
Exact Mass
500.313789
SMILES
C[C@H](C[C@@H](/C=C(\C)/C(=O)O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O
InChI
InChI=1S/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h13,16,18,20,22,24,31,34H,8-12,14-15H2,1-7H3,(H,35,36)/b17-13+/t16-,18+,20-,22+,24+,28+,29-,30-/m1/s1
InChIKey
AUAXRALNWSHMRJ-YCEDVEOHSA-N
Synonyms
4-hydroxy-6-(15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
0.77
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
137.01
TPSA
111.9
LogP / Solubility
WLOGP
4.87
MLOGP
4.32
XLogP3
3.7
Consensus LogP
4.3
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.56
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5
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