![3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide structure](/static/products/4310/431067-16-2.webp)
3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide
TL;DR: 3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide (CAS 431067-16-2) is a chemical compound with molecular formula C16H11BrClN3OS and molecular weight 406.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: AB00114384-01, 3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide, 3-bromo-N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)benzamide, (3-bromophenyl)-N-{5-[(4-chlorophenyl)methyl](1,3,4-thiadiazol-2-yl)}carboxami de, 3-BROMO-N-{5-[(4-CHLOROPHENYL)METHYL]-1,3,4-THIADIAZOL-2-YL}BENZAMIDE
| Molecular Formula | C16H11BrClN3OS |
|---|---|
| Molecular Weight | 406.95 g/mol |
| LogP | 4.7971 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.94946 |
| Heavy Atoms | 23 |
| Complexity | 835.35156 |
Chemical Identifiers
| CAS Number | 431067-16-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)Cl |
Product Overview
3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide (CAS 431067-16-2), with molecular formula C16H11BrClN3OS and molecular weight 406.95 g/mol. IUPAC: 3-bromo-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide
Property Insights of 3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide
The XLogP value of 4.7971 indicates that 3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide has 1 hydrogen bond donor(s) and 4 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-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide?
The CAS number of 3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide is 431067-16-2.
What is the molecular formula of 3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide?
The molecular formula of 3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide is C16H11BrClN3OS.
What is the molecular weight of 3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide?
The molecular weight of 3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide is 406.95 g/mol.
Where can I buy 3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide?
You can request a quote for 3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.