CAS RN: 4810-79-1
4-ISOBUTYL-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.20260508 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4810-79-1
- Purity/Analytical Methods: >99.0%
4810-79-1 / 4-(2-methylpropyl)pyridine
Basic Information
CAS
4810-79-1
Multi CAS
Yes
Molecular Formula
C9H13N
Molecular Weight
135.210000
Exact Mass
135.104799
InChI
InChI=1S/C9H13N/c1-8(2)7-9-3-5-10-6-4-9/h3-6,8H,7H2,1-2H3
InChIKey
WACPXLKEEAMYCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
42.78
TPSA
12.89
LogP / Solubility
WLOGP
2.28
MLOGP
2
XLogP3
2.4
Consensus LogP
2.23
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately 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)
-1.93
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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