N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide
TL;DR: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide (CAS 600161-04-4) is a chemical compound with molecular formula C16H11ClN4O3S and molecular weight 374.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide
Also Known As: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide, (2-chloro-4-nitrophenyl)-N-[5-benzyl(1,3,4-thiadiazol-2-yl)]carboxamide
| Molecular Formula | C16H11ClN4O3S |
|---|---|
| Molecular Weight | 374.02 g/mol |
| LogP | 3.9428 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.02405 |
| Heavy Atoms | 25 |
| Complexity | 930.1391 |
Chemical Identifiers
| CAS Number | 600161-04-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide (CAS 600161-04-4), with molecular formula C16H11ClN4O3S and molecular weight 374.02 g/mol. IUPAC: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide.
Chemical Property Profile of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide
Property Insights of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide
The XLogP value of 3.9428 indicates that N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide 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 N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide?
The CAS number of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide is 600161-04-4.
What is the molecular formula of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide?
The molecular formula of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide is C16H11ClN4O3S.
What is the molecular weight of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide?
The molecular weight of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide is 374.02 g/mol.
Where can I buy N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide?
You can request a quote for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.