CAS RN: 58069-37-7
3-Octylpyridine
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.20250412 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS58069-37-7
- Purity/Analytical Methods: >99.0%
58069-37-7 / 3-octylpyridine
Basic Information
CAS
58069-37-7
Multi CAS
No
Molecular Formula
C13H21N
Molecular Weight
191.310000
Exact Mass
191.167400
InChI
InChI=1S/C13H21N/c1-2-3-4-5-6-7-9-13-10-8-11-14-12-13/h8,10-12H,2-7,9H2,1H3
InChIKey
VRSLSMSXIFJONL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
61.32
TPSA
12.89
LogP / Solubility
WLOGP
3.98
MLOGP
3.51
XLogP3
4.6
Consensus LogP
4.03
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.06
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
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