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CAS 1956307-14-4 (3-BROMOPYRIDIN-4-YL)METHANAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1956307-14-4

(3-BROMOPYRIDIN-4-YL)METHANAMINE HYDROCHLORIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251111 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1956307-14-4
  • Purity/Analytical Methods: >99.0%
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1956307-14-4 / (3-bromo-4-pyridinyl)methanamine;hydrochloride

Standard CAS: 1956307-14-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956307-14-4
Multi CAS
No
Molecular Formula
C6H8BrClN2
Molecular Weight
223.500000
Exact Mass
221.955940
SMILES
C1=CN=CC(=C1CN)Br.Cl
InChI
InChI=1S/C6H7BrN2.ClH/c7-6-4-9-2-1-5(6)3-8;/h1-2,4H,3,8H2;1H
InChIKey
POQKDPSYPWNJAA-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
47.08
TPSA
38.91

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
1.72
Consensus LogP
1.65
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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