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CAS 1965308-87-5 (6-Amino-pyridin-2-yl)-acetic acid hydrochloride molecular structure lightbox
CAS RN: 1965308-87-5

(6-Amino-pyridin-2-yl)-acetic acid hydrochloride

  • Product code: SSC-092784
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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: 1g
  • 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 1965308-87-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1965308-87-5 / 2-(6-amino-2-pyridinyl)acetic acid;hydrochloride

Standard CAS: 1965308-87-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1965308-87-5
Multi CAS
No
Molecular Formula
C7H9ClN2O2
Molecular Weight
188.610000
Exact Mass
188.035255
SMILES
C1=CC(=NC(=C1)N)CC(=O)O.Cl
InChI
InChI=1S/C7H8N2O2.ClH/c8-6-3-1-2-5(9-6)4-7(10)11;/h1-3H,4H2,(H2,8,9)(H,10,11);1H
InChIKey
WYFDIFMZMXNCMX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.24
TPSA
76.21

LogP / Solubility

WLOGP
0.71
MLOGP
0.63
XLogP3
0.71
Consensus LogP
0.68
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
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)
-3.36

Drug-likeness / Medicinal Chemistry

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

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