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CAS 2089292-64-6 2-Amino-3-(thiazol-5-yl)propanoic acid hydrochloride molecular structure lightbox
CAS RN: 2089292-64-6

2-Amino-3-(thiazol-5-yl)propanoic acid hydrochloride

  • Product code: SSC-098253
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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: ＞97%
  • 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 2089292-64-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

2089292-64-6 / 2-amino-3-(1,3-thiazol-5-yl)propanoic acid;hydrochloride

Standard CAS: 2089292-64-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2089292-64-6
Multi CAS
No
Molecular Formula
C6H9ClN2O2S
Molecular Weight
208.670000
Exact Mass
208.007326
SMILES
C1=C(SC=N1)CC(C(=O)O)N.Cl
InChI
InChI=1S/C6H8N2O2S.ClH/c7-5(6(9)10)1-4-2-8-3-11-4;/h2-3,5H,1,7H2,(H,9,10);1H
InChIKey
WPTRJRFKLLPZND-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.68
TPSA
76.21

LogP / Solubility

WLOGP
0.52
MLOGP
0.46
XLogP3
0.52
Consensus LogP
0.5
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-3.62

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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