CAS RN: 61235-23-2
11-Hydroxybisabola-1,3,5-trien-9-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.20260423 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS61235-23-2
- Purity/Analytical Methods: >99.0%
61235-23-2 / 2-hydroxy-2-methyl-6-(4-methylphenyl)heptan-4-one
Basic Information
CAS
61235-23-2
Multi CAS
Yes
Molecular Formula
C15H22O2
Molecular Weight
234.330000
Exact Mass
234.161980
InChI
InChI=1S/C15H22O2/c1-11-5-7-13(8-6-11)12(2)9-14(16)10-15(3,4)17/h5-8,12,17H,9-10H2,1-4H3
InChIKey
XOILAZXNTMGJRR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.13
TPSA
37.3
LogP / Solubility
WLOGP
3.22
MLOGP
2.84
XLogP3
2.4
Consensus LogP
2.82
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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