![[5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester structure](/static/products/312/312502-92-4.png)
[5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester
TL;DR: [5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester (CAS 312502-92-4) is a chemical compound with molecular formula C13H12FN3O3S and molecular weight 309.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-[(2-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate
Also Known As: A1907/0080142, ethyl 2-(5-(2-fluorobenzamido)-1,3,4-thiadiazol-2-yl)acetate, Ethyl (5-[(2-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl)acetate #, ethyl (5-{[(2-fluorophenyl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate, ETHYL 2-[5-(2-FLUOROBENZAMIDO)-1,3,4-THIADIAZOL-2-YL]ACETATE
| Molecular Formula | C13H12FN3O3S |
|---|---|
| Molecular Weight | 309.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.05835 |
| Heavy Atoms | 21 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 312502-92-4 |
|---|---|
| SMILES | CCOC(=O)CC1=NN=C(S1)NC(=O)C2=CC=CC=C2F |
| InChIKey | HTQSOXKOGFDYHH-UHFFFAOYSA-N |
Product Overview
[5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester (CAS 312502-92-4), with molecular formula C13H12FN3O3S and molecular weight 309.06 g/mol. IUPAC: ethyl 2-[5-[(2-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate.
Chemical Property Profile of [5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester
Property Insights of [5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester. Following Lipinski's Rule of Five, [5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester has 1 hydrogen bond donor(s) and 7 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 [5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester?
The CAS number of [5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester is 312502-92-4.
What is the molecular formula of [5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester?
The molecular formula of [5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester is C13H12FN3O3S.
What is the molecular weight of [5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester?
The molecular weight of [5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester is 309.06 g/mol.
Where can I buy [5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester?
You can request a quote for [5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for [5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.