1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester
TL;DR: 1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester (CAS 35728-33-7) is a chemical compound with molecular formula C12H12BrN3O2S and molecular weight 340.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-(4-bromoanilino)-1,3,4-thiadiazol-2-yl]acetate
Also Known As: 1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester, Ethyl 5-((4-bromophenyl)amino)-1,3,4-thiadiazole-2-acetate, ethyl 2-[5-(4-bromoanilino)-1,3,4-thiadiazol-2-yl]acetate, Ethyl [5-(4-bromoanilino)-1,3,4-thiadiazol-2-yl]acetate, RefChem:217059
| Molecular Formula | C12H12BrN3O2S |
|---|---|
| Molecular Weight | 340.98 g/mol |
| LogP | 3.1498 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.98337 |
| Heavy Atoms | 19 |
| Complexity | 556.35706 |
Chemical Identifiers
| CAS Number | 35728-33-7 |
|---|---|
| SMILES | CCOC(=O)CC1=NN=C(S1)NC2=CC=C(C=C2)Br |
Product Overview
1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester (CAS 35728-33-7), with molecular formula C12H12BrN3O2S and molecular weight 340.98 g/mol. IUPAC: ethyl 2-[5-(4-bromoanilino)-1,3,4-thiadiazol-2-yl]acetate.
Chemical Property Profile of 1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester
Property Insights of 1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester
The XLogP value of 3.1498 indicates that 1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester. Following Lipinski's Rule of Five, 1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester 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 1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester?
The CAS number of 1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester is 35728-33-7.
What is the molecular formula of 1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester?
The molecular formula of 1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester is C12H12BrN3O2S.
What is the molecular weight of 1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester?
The molecular weight of 1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester is 340.98 g/mol.
Where can I buy 1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester?
You can request a quote for 1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Thiadiazole-2-acetic acid, 5-((4-bromophenyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.