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CAS RN: 1352001-09-2
3β-acetoxy-eupha- 7,25-dien-24(R)-ol
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.20250515 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1352001-09-2
- Purity/Analytical Methods: >99.0%
1352001-09-2 / [17-(5-hydroxy-6-methylhept-6-en-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Basic Information
CAS
1352001-09-2
Multi CAS
No
Molecular Formula
C32H52O3
Molecular Weight
484.800000
Exact Mass
484.391646
SMILES
CC(CCC(C(=C)C)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C
InChI
InChI=1S/C32H52O3/c1-20(2)26(34)12-10-21(3)23-14-18-32(9)25-11-13-27-29(5,6)28(35-22(4)33)16-17-30(27,7)24(25)15-19-31(23,32)8/h11,21,23-24,26-28,34H,1,10,12-19H2,2-9H3/t21-,23+,24+,26-,27+,28+,30-,31+,32-/m1/s1
InChIKey
AMYYCORMRINIHJ-SZNQYELCSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.84
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
143.75
TPSA
46.53
LogP / Solubility
WLOGP
7.88
MLOGP
6.97
XLogP3
8.6
Consensus LogP
7.82
Log S (ESOL)
-7.41
Class (ESOL)
Insoluble
Log S (Ali)
-9.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.07
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)
-0.08
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
7.5
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