[email protected]
CAS 1429903-78-5 2-Chloro-5-(4-fluoro-phenyl)-thiazole-4-carboxylic acid molecular structure lightbox
CAS RN: 1429903-78-5

2-Chloro-5-(4-fluoro-phenyl)-thiazole-4-carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250323 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1429903-78-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1429903-78-5 / 2-chloro-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid

Standard CAS: 1429903-78-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1429903-78-5
Multi CAS
No
Molecular Formula
C10H5ClFNO2S
Molecular Weight
257.670000
Exact Mass
256.971355
SMILES
C1=CC(=CC=C1C2=C(N=C(S2)Cl)C(=O)O)F
InChI
InChI=1S/C10H5ClFNO2S/c11-10-13-7(9(14)15)8(16-10)5-1-3-6(12)4-2-5/h1-4H,(H,14,15)
InChIKey
SWWGPVNCGJCUFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.48
TPSA
50.19

LogP / Solubility

WLOGP
3.3
MLOGP
2.91
XLogP3
3.5
Consensus LogP
3.24
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly 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)
-1.95

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us