CAS RN: 155485-76-0
3,6-Caryolanediol
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.20251008 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS155485-76-0
- Purity/Analytical Methods: >99.0%
155485-76-0 / (1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
Basic Information
CAS
155485-76-0
Multi CAS
No
Molecular Formula
C15H26O2
Molecular Weight
238.370000
Exact Mass
238.193280
SMILES
C[C@@]12CC[C@H]3[C@@H](CC3(C)C)[C@@](C1)(CC[C@H]2O)O
InChI
InChI=1S/C15H26O2/c1-13(2)8-11-10(13)4-6-14(3)9-15(11,17)7-5-12(14)16/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12+,14+,15-/m0/s1
InChIKey
SFJOMLIUSIKKRA-PRSHDEELSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.53
TPSA
40.46
LogP / Solubility
WLOGP
2.72
MLOGP
2.4
XLogP3
2.8
Consensus LogP
2.64
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly 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)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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