CAS RN: 745056-83-1
1,6-Dimethyl-5-vinyl-9,10-dihydrophenanthren-2-ol
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.20250921 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS745056-83-1
- Purity/Analytical Methods: >99.0%
745056-83-1 / 5-ethenyl-1,6-dimethyl-9,10-dihydrophenanthren-2-ol
Basic Information
CAS
745056-83-1
Multi CAS
No
Molecular Formula
C18H18O
Molecular Weight
250.300000
Exact Mass
250.135765
InChI
InChI=1S/C18H18O/c1-4-14-11(2)5-6-13-7-8-15-12(3)17(19)10-9-16(15)18(13)14/h4-6,9-10,19H,1,7-8H2,2-3H3
InChIKey
JNJQOXZGLGRCLN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
80.52
TPSA
20.23
LogP / Solubility
WLOGP
4.42
MLOGP
3.89
XLogP3
5
Consensus LogP
4.44
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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