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CAS 17229-00-4 2-m-Tolyl-thiazole-4-carboxylic acid molecular structure lightbox
CAS RN: 17229-00-4

2-m-Tolyl-thiazole-4-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250105 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-075757
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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 17229-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

17229-00-4 / 2-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid

Standard CAS: 17229-00-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17229-00-4
Multi CAS
No
Molecular Formula
C11H9NO2S
Molecular Weight
219.260000
Exact Mass
219.035400
SMILES
CC1=CC(=CC=C1)C2=NC(=CS2)C(=O)O
InChI
InChI=1S/C11H9NO2S/c1-7-3-2-4-8(5-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)
InChIKey
UVYLHKYEIBAKAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.25
TPSA
50.19

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
2.8
Consensus LogP
2.7
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.06

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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