N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide
TL;DR: N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide (CAS 833436-67-2) is a chemical compound with molecular formula C17H16N6O4S and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,7-dimethylquinazolin-2-yl)-2-(4-nitrophenyl)sulfonylguanidine
Also Known As: 1-(4,7-dimethylquinazolin-2-yl)-2-(4-nitrophenyl)sulfonylguanidine, N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide, N-[N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl]-4-nitrobenzenesulfonamide, {[(4,7-dimethylquinazolin-2-yl)amino]iminomethyl}[(4-nitrophenyl)sulfonyl]amin e, 2-[(IMINO{[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)AMINO]-4,7-DIMETHYLQUINAZOLINE
| Molecular Formula | C17H16N6O4S |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 2.27034 |
| Topological Polar Surface Area | 153.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.09537 |
| Heavy Atoms | 28 |
| Complexity | 1206.2948 |
Chemical Identifiers
| CAS Number | 833436-67-2 |
|---|---|
| SMILES | CC1=CC2=NC(=NC(=C2C=C1)C)N/C(=N/S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])/N |
Product Overview
N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide (CAS 833436-67-2), with molecular formula C17H16N6O4S and molecular weight 400.10 g/mol. IUPAC: 1-(4,7-dimethylquinazolin-2-yl)-2-(4-nitrophenyl)sulfonylguanidine.
Chemical Property Profile of N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide
Property Insights of N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide
The XLogP value of 2.27034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide. The TPSA of 153.47 Ų indicates high polarity, suggesting N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide has 2 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-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide?
The CAS number of N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide is 833436-67-2.
What is the molecular formula of N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide?
The molecular formula of N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide is C17H16N6O4S.
What is the molecular weight of N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide?
The molecular weight of N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide is 400.10 g/mol.
Where can I buy N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide?
You can request a quote for N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl)-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.