CAS RN: 2703746-11-4

2-Pyridinemethanamine, 6-amino-α-methyl-, hydrochloride (1:3), (αR)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260514 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2703746-11-4
  • Purity/Analytical Methods: >99.0%
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2703746-11-4 / 6-[(1R)-1-aminoethyl]pyridin-2-amine;trihydrochloride

Standard CAS: 2703746-11-4 Multi CAS: No

Basic Information

CAS
2703746-11-4
Multi CAS
No
Molecular Formula
C7H14Cl3N3
Molecular Weight
246.600000
Exact Mass
245.025331
SMILES
C[C@H](C1=NC(=CC=C1)N)N.Cl.Cl.Cl
InChI
InChI=1S/C7H11N3.3ClH/c1-5(8)6-3-2-4-7(9)10-6;;;/h2-5H,8H2,1H3,(H2,9,10);3*1H/t5-;;;/m1.../s1
InChIKey
BIGORYGQWZSWFH-QVJBSGFVSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63
TPSA
64.93

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
1.95
Consensus LogP
1.87
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly 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)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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