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CAS 726165-19-1 (2-AMINO-4-P-TOLYL-THIAZOL-5-YL)-ACETIC ACID molecular structure lightbox
CAS RN: 726165-19-1

(2-AMINO-4-P-TOLYL-THIAZOL-5-YL)-ACETIC ACID

  • Product code: SSC-182122
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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 726165-19-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

726165-19-1 / 2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid

Standard CAS: 726165-19-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
726165-19-1
Multi CAS
No
Molecular Formula
C12H12N2O2S
Molecular Weight
248.300000
Exact Mass
248.061949
InChI
InChI=1S/C12H12N2O2S/c1-7-2-4-8(5-3-7)11-9(6-10(15)16)17-12(13)14-11/h2-5H,6H2,1H3,(H2,13,14)(H,15,16)
InChIKey
JLJKSGJPQNPRKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.04
TPSA
76.21

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2.1
Consensus LogP
2.16
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

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

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