![N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide structure](/static/products/5903/590399-03-4.webp)
N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide
TL;DR: N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide (CAS 590399-03-4) is a chemical compound with molecular formula C17H13ClN4O3S and molecular weight 388.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide
Also Known As: N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide, N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide, N-{5-[(4-chlorophenyl)methyl](1,3,4-thiadiazol-2-yl)}-2-(2-nitrophenyl)acetami de
| Molecular Formula | C17H13ClN4O3S |
|---|---|
| Molecular Weight | 388.04 g/mol |
| LogP | 3.8717 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.0397 |
| Heavy Atoms | 26 |
| Complexity | 943.19086 |
Chemical Identifiers
| CAS Number | 590399-03-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide (CAS 590399-03-4), with molecular formula C17H13ClN4O3S and molecular weight 388.04 g/mol. IUPAC: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide.
Chemical Property Profile of N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide
Property Insights of N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide
The XLogP value of 3.8717 indicates that N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide 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-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide. Following Lipinski's Rule of Five, N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide 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-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide?
The CAS number of N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide is 590399-03-4.
What is the molecular formula of N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide?
The molecular formula of N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide is C17H13ClN4O3S.
What is the molecular weight of N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide?
The molecular weight of N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide is 388.04 g/mol.
Where can I buy N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide?
You can request a quote for N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.