3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
TL;DR: 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide (CAS 312747-83-4) is a chemical compound with molecular formula C11H10N4O3S and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
Also Known As: 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide, AB00111937-01, AH-034/33702034, 4-nitro-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide, N-(5-methyl(1,3,4-thiadiazol-2-yl))(3-methyl-4-nitrophenyl)carboxamide
| Molecular Formula | C11H10N4O3S |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 2.31544 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.04736 |
| Heavy Atoms | 19 |
| Complexity | 653.1399 |
Chemical Identifiers
| CAS Number | 312747-83-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=NN=C(S2)C)[N+](=O)[O-] |
Product Overview
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide (CAS 312747-83-4), with molecular formula C11H10N4O3S and molecular weight 278.05 g/mol. IUPAC: 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide.
Chemical Property Profile of 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
Property Insights of 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
The XLogP value of 2.31544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-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 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide?
The CAS number of 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide is 312747-83-4.
What is the molecular formula of 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide?
The molecular formula of 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide is C11H10N4O3S.
What is the molecular weight of 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide?
The molecular weight of 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide is 278.05 g/mol.
Where can I buy 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide?
You can request a quote for 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.