Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate
TL;DR: Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate (CAS 313665-88-2) is a chemical compound with molecular formula C13H13N3O3S and molecular weight 291.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate
Also Known As: BAS 00599098, ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate, A1805/0076285, (5-Benzoylamino-[1,3,4]thiadiazol-2-yl)-acetic acid ethyl ester, ethyl {5-[(phenylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}acetate
| Molecular Formula | C13H13N3O3S |
|---|---|
| Molecular Weight | 291.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.06775 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 313665-88-2 |
|---|---|
| SMILES | CCOC(=O)CC1=NN=C(S1)NC(=O)C2=CC=CC=C2 |
| InChIKey | YHLYXPUXNXASDQ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate (CAS 313665-88-2), with molecular formula C13H13N3O3S and molecular weight 291.07 g/mol. IUPAC: ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate.
Chemical Property Profile of Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate
Property Insights of Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate has 1 hydrogen bond donor(s) and 6 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 Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate?
The CAS number of Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate is 313665-88-2.
What is the molecular formula of Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate?
The molecular formula of Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate is C13H13N3O3S.
What is the molecular weight of Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate?
The molecular weight of Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate is 291.07 g/mol.
Where can I buy Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate?
You can request a quote for Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(5-benzamido-1,3,4-thiadiazol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.