![4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid structure](/static/products/854/854035-92-0.png)
4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid
TL;DR: 4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid (CAS 854035-92-0) is a chemical compound with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid
Also Known As: 4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid, 4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic Acid, 4-{[(4-oxo-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazol-5-yl)acetyl]amino}benzoic acid, 4-([(4-Oxo-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazol-5-yl)acetyl]amino)benzoic acid, 4-(2-(4-OXO-2-(PYRROLIDIN-1-YL)-4,5-DIHYDROTHIAZOL-5-YL)ACETAMIDO)BENZOIC ACID
| Molecular Formula | C16H17N3O4S |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 1.8072 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.09396 |
| Heavy Atoms | 24 |
| Complexity | 695.779 |
Chemical Identifiers
| CAS Number | 854035-92-0 |
|---|---|
| SMILES | C1CCN(C1)C2=NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid (CAS 854035-92-0), with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol. IUPAC: 4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid.
Chemical Property Profile of 4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid
Property Insights of 4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid
The XLogP value of 1.8072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid. The TPSA of 99.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid. Following Lipinski's Rule of Five, 4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid has 2 hydrogen bond donor(s) and 5 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 4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid?
The CAS number of 4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid is 854035-92-0.
What is the molecular formula of 4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid?
The molecular formula of 4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid is C16H17N3O4S.
What is the molecular weight of 4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid?
The molecular weight of 4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid is 347.09 g/mol.
Where can I buy 4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid?
You can request a quote for 4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[4-oxo-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.