CAS RN: 59652-33-4
3-Decylpyridine
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.20250114 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND894100
59652-33-4 / 3-decylpyridine
Basic Information
CAS
59652-33-4
Multi CAS
No
Molecular Formula
C15H25N
Molecular Weight
219.370000
Exact Mass
219.198700
InChI
InChI=1S/C15H25N/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-16-14-15/h10,12-14H,2-9,11H2,1H3
InChIKey
NNEYEQMCIJZAOS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
70.55
TPSA
12.89
LogP / Solubility
WLOGP
4.76
MLOGP
4.2
XLogP3
5.7
Consensus LogP
4.89
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.12
Class (SILICOS-IT)
Insoluble
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)
-0.68
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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