CAS RN: 2011034-27-6
2α-Acetoxy-14,15-cyclopimara-7β,16-diol
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.20250914 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2011034-27-6
- Purity/Analytical Methods: >99.0%
2011034-27-6 / [(1R,1aS,1bR,2S,3aS,6S,7aR,7bS,9aR)-2-hydroxy-1-(hydroxymethyl)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-6-yl] acetate
Basic Information
CAS
2011034-27-6
Multi CAS
No
Molecular Formula
C22H36O4
Molecular Weight
364.500000
Exact Mass
364.261360
SMILES
CC(=O)O[C@@H]1C[C@@]2([C@H]3CC[C@]4([C@@H]([C@H]4[C@@H]3[C@H](C[C@H]2C(C1)(C)C)O)CO)C)C
InChI
InChI=1S/C22H36O4/c1-12(24)26-13-9-20(2,3)17-8-16(25)18-14(22(17,5)10-13)6-7-21(4)15(11-23)19(18)21/h13-19,23,25H,6-11H2,1-5H3/t13-,14-,15+,16-,17-,18-,19-,21-,22+/m0/s1
InChIKey
PTRMLDRXBSKIGD-VWRGGBKHSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.95
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
99.18
TPSA
66.76
LogP / Solubility
WLOGP
3.4
MLOGP
3.01
XLogP3
3.9
Consensus LogP
3.44
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5
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