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CAS 79312-41-7 2-Thiazolecarboxylic acid, 4,5-dimethyl- molecular structure lightbox
CAS RN: 79312-41-7

2-Thiazolecarboxylic acid, 4,5-dimethyl-

  • Product code: SSC-188510
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 79312-41-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Beijing Inquiry
0.25g ≥97% 1 In Stock Shenzhen Inquiry
1g ≥97% 1 In Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

79312-41-7 / 4,5-dimethyl-1,3-thiazole-2-carboxylic acid

Standard CAS: 79312-41-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79312-41-7
Multi CAS
No
Molecular Formula
C6H7NO2S
Molecular Weight
157.190000
Exact Mass
157.019750
InChI
InChI=1S/C6H7NO2S/c1-3-4(2)10-5(7-3)6(8)9/h1-2H3,(H,8,9)
InChIKey
ICWKPMXHMDXUNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.55
TPSA
50.19

LogP / Solubility

WLOGP
1.46
MLOGP
1.28
XLogP3
1.6
Consensus LogP
1.45
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.64

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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