CAS RN: 80635-91-2
4-METHYL-2-M-TOLYL-PYRIDINE
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.20250701 | 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS80635-91-2
- Purity/Analytical Methods: >99.0%
80635-91-2 / 4-methyl-2-(3-methylphenyl)pyridine
Basic Information
CAS
80635-91-2
Multi CAS
No
Molecular Formula
C13H13N
Molecular Weight
183.250000
Exact Mass
183.104799
InChI
InChI=1S/C13H13N/c1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13/h3-9H,1-2H3
InChIKey
YFOMNGOCTSDTAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
59.15
TPSA
12.89
LogP / Solubility
WLOGP
3.37
MLOGP
2.96
XLogP3
3.2
Consensus LogP
3.18
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45
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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