CAS RN: 832-71-3
3-Methylphenanthrene
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.20250725 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTM0523
- Purity/Analytical Methods: >98.0%(GC)
832-71-3 / 3-methylphenanthrene
Basic Information
CAS
832-71-3
Multi CAS
No
Molecular Formula
C15H12
Molecular Weight
192.250000
Exact Mass
192.093900
InChI
InChI=1S/C15H12/c1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11/h2-10H,1H3
InChIKey
GKYWZUBZZBHZKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
14
Fraction Csp3
0.07
Molar refractivity
66.19
TPSA
0.0000
LogP / Solubility
WLOGP
4.3
MLOGP
3.78
XLogP3
5.2
Consensus LogP
4.43
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
