![N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide structure](/static/products/5878/587846-56-8.webp)
N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide
TL;DR: N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide (CAS 587846-56-8) is a chemical compound with molecular formula C18H16N4O4S and molecular weight 384.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide
Also Known As: N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide, N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide, N-{5-[(4-methoxyphenyl)methyl](1,3,4-thiadiazol-2-yl)}(3-methyl-2-nitrophenyl) carboxamide
| Molecular Formula | C18H16N4O4S |
|---|---|
| Molecular Weight | 384.09 g/mol |
| LogP | 3.60642 |
| Topological Polar Surface Area | 107.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.08923 |
| Heavy Atoms | 27 |
| Complexity | 985.2816 |
Chemical Identifiers
| CAS Number | 587846-56-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)OC)[N+](=O)[O-] |
Product Overview
N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide (CAS 587846-56-8), with molecular formula C18H16N4O4S and molecular weight 384.09 g/mol. IUPAC: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide.
Chemical Property Profile of N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide
Property Insights of N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide
The XLogP value of 3.60642 indicates that N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-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 N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide. Following Lipinski's Rule of Five, N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-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 N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide?
The CAS number of N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide is 587846-56-8.
What is the molecular formula of N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide?
The molecular formula of N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide is C18H16N4O4S.
What is the molecular weight of N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide?
The molecular weight of N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide is 384.09 g/mol.
Where can I buy N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide?
You can request a quote for N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-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-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.