CAS RN: 960589-81-5
ent-17-Hydroxykauran-3-one
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.20250805 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS960589-81-5
- Purity/Analytical Methods: >99.0%
960589-81-5 / (1S,4S,9S,10R,13R,14S)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
Basic Information
CAS
960589-81-5
Multi CAS
Yes
Molecular Formula
C20H32O2
Molecular Weight
304.500000
Exact Mass
304.240230
InChI
InChI=1S/C20H32O2/c1-18(2)15-6-9-20-10-13(14(11-20)12-21)4-5-16(20)19(15,3)8-7-17(18)22/h13-16,21H,4-12H2,1-3H3/t13-,14-,15-,16+,19-,20+/m1/s1
InChIKey
LHTFWLIJEYMGTO-ILRNBGBRSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.95
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
87.31
TPSA
37.3
LogP / Solubility
WLOGP
4.21
MLOGP
3.71
XLogP3
4.5
Consensus LogP
4.14
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9
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