CAS RN: 153471-65-9
C-(6-Chloro-pyridin-3-yl)-MethylaMine hydrochloride
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.20250602 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS153471-65-9
- Purity/Analytical Methods: >99.0%
153471-65-9 / (6-chloro-3-pyridinyl)methanamine;hydrochloride
Basic Information
CAS
153471-65-9
Multi CAS
No
Molecular Formula
C6H8Cl2N2
Molecular Weight
179.040000
Exact Mass
178.006454
SMILES
C1=CC(=NC=C1CN)Cl.Cl
InChI
InChI=1S/C6H7ClN2.ClH/c7-6-2-1-5(3-8)4-9-6;/h1-2,4H,3,8H2;1H
InChIKey
KZFYOSHOWMDDMI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.39
TPSA
38.91
LogP / Solubility
WLOGP
1.62
MLOGP
1.42
XLogP3
1.62
Consensus LogP
1.55
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.67
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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