![4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide structure](/static/products/5903/590398-55-3.webp)
4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
TL;DR: 4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide (CAS 590398-55-3) is a chemical compound with molecular formula C17H13ClN4O4S and molecular weight 404.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Also Known As: 4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide, 4-chloro-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide, (4-chloro-3-nitrophenyl)-N-{5-[(4-methoxyphenyl)methyl](1,3,4-thiadiazol-2-yl) }carboxamide
| Molecular Formula | C17H13ClN4O4S |
|---|---|
| Molecular Weight | 404.03 g/mol |
| LogP | 3.9514 |
| Topological Polar Surface Area | 107.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.0346 |
| Heavy Atoms | 27 |
| Complexity | 990.8534 |
Chemical Identifiers
| CAS Number | 590398-55-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide (CAS 590398-55-3), with molecular formula C17H13ClN4O4S and molecular weight 404.03 g/mol. IUPAC: 4-chloro-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide.
Chemical Property Profile of 4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Property Insights of 4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
The XLogP value of 3.9514 indicates that 4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide has 1 hydrogen bond donor(s) and 7 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 4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
The CAS number of 4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide is 590398-55-3.
What is the molecular formula of 4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
The molecular formula of 4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide is C17H13ClN4O4S.
What is the molecular weight of 4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
The molecular weight of 4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide is 404.03 g/mol.
Where can I buy 4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
You can request a quote for 4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.