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CAS 1263377-96-3 2-AMino-2-(pyridin-2-yl)acetic acid HCl molecular structure lightbox
CAS RN: 1263377-96-3

2-AMino-2-(pyridin-2-yl)acetic acid HCl

  • Product code: SSC-033464
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1263377-96-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1263377-96-3 / 2-amino-2-pyridin-2-ylacetic acid;dihydrochloride

Standard CAS: 1263377-96-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1263377-96-3
Multi CAS
No
Molecular Formula
C7H10Cl2N2O2
Molecular Weight
225.070000
Exact Mass
224.011933
SMILES
C1=CC=NC(=C1)C(C(=O)O)N.Cl.Cl
InChI
InChI=1S/C7H8N2O2.2ClH/c8-6(7(10)11)5-3-1-2-4-9-5;;/h1-4,6H,8H2,(H,10,11);2*1H
InChIKey
BDDHIBXFXDPLGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.3
TPSA
76.21

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
1.01
Consensus LogP
0.97
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-3.38

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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