3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid
TL;DR: 3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid (CAS 488804-08-6) is a chemical compound with molecular formula C11H8ClNO2S2 and molecular weight 284.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylic acid
Also Known As: Penicillin-V sulphoxide, CHEMBRDG-BB 6511159, CHEMBRDG-BB6511159, 3-(4-chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid, 3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydrothiazole-5-carboxylic acid
| Molecular Formula | C11H8ClNO2S2 |
|---|---|
| Molecular Weight | 284.97 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.9685 |
| Heavy Atoms | 17 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 488804-08-6 |
|---|---|
| SMILES | CC1=C(SC(=S)N1C2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | IAQINBZWTJNCJO-UHFFFAOYSA-N |
Product Overview
3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid (CAS 488804-08-6), with molecular formula C11H8ClNO2S2 and molecular weight 284.97 g/mol. IUPAC: 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylic acid.
Chemical Property Profile of 3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid
Property Insights of 3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid
The XLogP value of 3.3 indicates that 3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid?
The CAS number of 3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid is 488804-08-6.
What is the molecular formula of 3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid?
The molecular formula of 3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid is C11H8ClNO2S2.
What is the molecular weight of 3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid?
The molecular weight of 3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid is 284.97 g/mol.
Where can I buy 3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid?
You can request a quote for 3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.