CAS RN: 941227-27-6
1,3,5-Cadinatriene-3,8-diol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250918 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS941227-27-6
- Purity/Analytical Methods: >99.0%
941227-27-6 / 4,7-dimethyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,6-diol
Basic Information
CAS
941227-27-6
Multi CAS
Yes
Molecular Formula
C15H22O2
Molecular Weight
234.330000
Exact Mass
234.161980
InChI
InChI=1S/C15H22O2/c1-8(2)15-12-5-10(4)13(16)7-11(12)9(3)6-14(15)17/h5,7-9,14-17H,6H2,1-4H3
InChIKey
RKVZRTDMSVXBGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.46
TPSA
40.46
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
3.4
Consensus LogP
3.21
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
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)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 941283-79-0 “(5aR,10bS)-5a,10b-Dihydro-2-(4-methoxyphenyl)-4H,6Hindeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium Tetrafluoroborate,99%e.e.” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/941283-79-0.gif)
