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CAS 1219368-79-2 3-([2,2′-Bipyridin]-5-yl)-2-aminopropanoic acid molecular structure lightbox
CAS RN: 1219368-79-2

3-([2,2′-Bipyridin]-5-yl)-2-aminopropanoic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250620 25mg / 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1219368-79-2
  • Purity/Analytical Methods: >99.0%
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1219368-79-2 / 2-amino-3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid

Standard CAS: 1219368-79-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1219368-79-2
Multi CAS
No
Molecular Formula
C13H13N3O2
Molecular Weight
243.260000
Exact Mass
243.100777
SMILES
C1=CC=NC(=C1)C2=NC=C(C=C2)CC(C(=O)O)N
InChI
InChI=1S/C13H13N3O2/c14-10(13(17)18)7-9-4-5-12(16-8-9)11-3-1-2-6-15-11/h1-6,8,10H,7,14H2,(H,17,18)
InChIKey
VWTQURBMIRJISI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.78
TPSA
89.1

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
-1.9
Consensus LogP
0.06
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble

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)
-3.42

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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