CAS RN: 22567-36-8
(-)-ALPHA-BISABOLOL
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.20260405 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS22567-36-8
- Purity/Analytical Methods: >99.0%
22567-36-8 / 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-ol
Basic Information
CAS
22567-36-8
Multi CAS
No
Molecular Formula
C15H26O2
Molecular Weight
238.370000
Exact Mass
238.193280
SMILES
CC1=CCC(CC1)C2(CCC(C(O2)(C)C)O)C
InChI
InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3/t12-,13+,15+/m1/s1
InChIKey
WJHRAVIQWFQMKF-IPYPFGDCSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.87
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.91
TPSA
29.46
LogP / Solubility
WLOGP
3.44
MLOGP
3.03
XLogP3
2.5
Consensus LogP
2.99
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
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)
-1.73
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
3
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