![Ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate structure](/static/products/3132/313239-28-0.webp)
Ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate
TL;DR: Ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate (CAS 313239-28-0) is a chemical compound with molecular formula C13H12BrN3O3S and molecular weight 368.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate
Also Known As: BAS 00321831, ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate, ethyl {5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl}acetate, A0861/0040350, ethyl 2-(5-(4-bromobenzamido)-1,3,4-thiadiazol-2-yl)acetate
| Molecular Formula | C13H12BrN3O3S |
|---|---|
| Molecular Weight | 368.98 g/mol |
| LogP | 2.6585 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.97827 |
| Heavy Atoms | 21 |
| Complexity | 642.36597 |
Chemical Identifiers
| CAS Number | 313239-28-0 |
|---|---|
| SMILES | CCOC(=O)CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)Br |
Product Overview
Ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate (CAS 313239-28-0), with molecular formula C13H12BrN3O3S and molecular weight 368.98 g/mol. IUPAC: ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate.
Chemical Property Profile of Ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate
Property Insights of Ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate
The XLogP value of 2.6585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[5-[(4-bromobenzoyl)amino]-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-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate?
The CAS number of Ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate is 313239-28-0.
What is the molecular formula of Ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate?
The molecular formula of Ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate is C13H12BrN3O3S.
What is the molecular weight of Ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate?
The molecular weight of Ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate is 368.98 g/mol.
Where can I buy Ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate?
You can request a quote for Ethyl 2-[5-[(4-bromobenzoyl)amino]-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-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.