N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
TL;DR: N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide (CAS 898457-98-2) is a chemical compound with molecular formula C10H7BrN4O3S and molecular weight 341.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromo-4-nitrophenyl)-4-methylthiadiazole-5-carboxamide
Also Known As: N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide, N-(3-bromo-4-nitrophenyl)-4-methylthiadiazole-5-carboxamide, F2630-0153
| Molecular Formula | C10H7BrN4O3S |
|---|---|
| Molecular Weight | 341.94 g/mol |
| LogP | 2.76952 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.94223 |
| Heavy Atoms | 19 |
| Complexity | 657.97437 |
Chemical Identifiers
| CAS Number | 898457-98-2 |
|---|---|
| SMILES | CC1=C(SN=N1)C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])Br |
Product Overview
N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide (CAS 898457-98-2), with molecular formula C10H7BrN4O3S and molecular weight 341.94 g/mol. IUPAC: N-(3-bromo-4-nitrophenyl)-4-methylthiadiazole-5-carboxamide.
Chemical Property Profile of N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
Property Insights of N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
The XLogP value of 2.76952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide. Following Lipinski's Rule of Five, N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide 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-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide?
The CAS number of N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide is 898457-98-2.
What is the molecular formula of N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide?
The molecular formula of N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide is C10H7BrN4O3S.
What is the molecular weight of N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide?
The molecular weight of N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide is 341.94 g/mol.
Where can I buy N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide?
You can request a quote for N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromo-4-nitrophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.