4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
TL;DR: 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide (CAS 312591-31-4) is a chemical compound with molecular formula C10H7ClN4O3S and molecular weight 297.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Also Known As: 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide, UPCMLD0ENAT5708065:001, AB00139141-02, AH-034/33492037, F0326-1085
| Molecular Formula | C10H7ClN4O3S |
|---|---|
| Molecular Weight | 297.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.99274 |
| Heavy Atoms | 19 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 312591-31-4 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | KUIHFXBERYODLD-UHFFFAOYSA-N |
Product Overview
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide (CAS 312591-31-4), with molecular formula C10H7ClN4O3S and molecular weight 297.99 g/mol. IUPAC: 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide.
Chemical Property Profile of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Property Insights of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-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 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide?
The CAS number of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide is 312591-31-4.
What is the molecular formula of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide?
The molecular formula of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide is C10H7ClN4O3S.
What is the molecular weight of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide?
The molecular weight of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide is 297.99 g/mol.
Where can I buy 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide?
You can request a quote for 4-chloro-N-(5-methyl-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-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.