CAS RN: 138402-36-5
3-Pyridinemethanamine,5-chloro-(9CI)
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.20250528 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-048325
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 5g, 1g, 0.1g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
138402-36-5 / (5-chloro-3-pyridinyl)methanamine
Basic Information
CAS
138402-36-5
Multi CAS
No
Molecular Formula
C6H7ClN2
Molecular Weight
142.580000
Exact Mass
142.029776
SMILES
C1=C(C=NC=C1Cl)CN
InChI
InChI=1S/C6H7ClN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2
InChIKey
PYJXHOFNDOAAPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.14
TPSA
38.91
LogP / Solubility
WLOGP
1.19
MLOGP
1.04
XLogP3
0.3
Consensus LogP
0.84
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-2.74
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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