[email protected]
CAS 1226776-93-7 2-Methoxy-4-(trifluoromethyl)thiazole-5-carboxylic Acid molecular structure lightbox
CAS RN: 1226776-93-7

2-Methoxy-4-(trifluoromethyl)thiazole-5-carboxylic Acid

  • Product code: SSC-025788
GET A QUOTE
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: 1g, 0.1g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1226776-93-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 1 In Stock Beijing Inquiry
0.1g >97% 0 Out of Stock Shenzhen Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

1226776-93-7 / 2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

Standard CAS: 1226776-93-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1226776-93-7
Multi CAS
No
Molecular Formula
C6H4F3NO3S
Molecular Weight
227.160000
Exact Mass
226.986399
SMILES
COC1=NC(=C(S1)C(=O)O)C(F)(F)F
InChI
InChI=1S/C6H4F3NO3S/c1-13-5-10-3(6(7,8)9)2(14-5)4(11)12/h1H3,(H,11,12)
InChIKey
DAGFIURSOZGKLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.63
TPSA
59.42

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
2
Consensus LogP
1.84
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-2.78

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us