![3-{2-[2-(Diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid structure](/static/products/7499/749902-44-1.webp)
3-{2-[2-(Diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid
TL;DR: 3-{2-[2-(Diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid (CAS 749902-44-1) is a chemical compound with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzoic acid
Also Known As: 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid, 3-({[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetyl}amino)benzoic acid, 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzoic acid, 3-[[2-(2-diethylamino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]benzoic Acid, 3-{2-[2-(diethylamino)-4-oxo-5H-1,3-thiazol-5-yl]acetamido}benzoic acid
| Molecular Formula | C16H19N3O4S |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 2.0532 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.10962 |
| Heavy Atoms | 24 |
| Complexity | 685.655 |
Chemical Identifiers
| CAS Number | 749902-44-1 |
|---|---|
| SMILES | CCN(CC)C1=NC(=O)C(S1)CC(=O)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-{2-[2-(Diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid (CAS 749902-44-1), with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol. IUPAC: 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzoic acid.
Chemical Property Profile of 3-{2-[2-(Diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid
Property Insights of 3-{2-[2-(Diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid
The XLogP value of 2.0532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{2-[2-(Diethylamino)-4-oxo-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 3-{2-[2-(Diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid. Following Lipinski's Rule of Five, 3-{2-[2-(Diethylamino)-4-oxo-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 3-{2-[2-(Diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid?
The CAS number of 3-{2-[2-(Diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid is 749902-44-1.
What is the molecular formula of 3-{2-[2-(Diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid?
The molecular formula of 3-{2-[2-(Diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid is C16H19N3O4S.
What is the molecular weight of 3-{2-[2-(Diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid?
The molecular weight of 3-{2-[2-(Diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid is 349.11 g/mol.
Where can I buy 3-{2-[2-(Diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid?
You can request a quote for 3-{2-[2-(Diethylamino)-4-oxo-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 3-{2-[2-(Diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{2-[2-(Diethylamino)-4-oxo-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.