4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid
TL;DR: 4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid (CAS 90349-65-8) is a chemical compound with molecular formula C9H9N3O4 and molecular weight 223.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[methyl(nitroso)carbamoyl]amino]benzoic acid
Also Known As: Benzoic acid, p-(3-methyl-3-nitrosoureido)-, p-(3-Methyl-3-nitrosoureido)benzoic acid, Benzoic acid, 4-(((methylnitrosoamino)carbonyl)amino)-, Benzoic acid, 4-[[(methylnitrosoamino)carbonyl]amino]-, NCI60_003929
| Molecular Formula | C9H9N3O4 |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.05931 |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 90349-65-8 |
|---|---|
| SMILES | CN(C(=O)NC1=CC=C(C=C1)C(=O)O)N=O |
| InChIKey | LUAOYJDDQIIDIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid (CAS 90349-65-8), with molecular formula C9H9N3O4 and molecular weight 223.06 g/mol. IUPAC: 4-[[methyl(nitroso)carbamoyl]amino]benzoic acid.
Chemical Property Profile of 4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid
Property Insights of 4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid. Following Lipinski's Rule of Five, 4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid has 2 hydrogen bond donor(s) and 5 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-(((Methylnitrosoamino)carbonyl)amino)benzoic acid?
The CAS number of 4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid is 90349-65-8.
What is the molecular formula of 4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid?
The molecular formula of 4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid is C9H9N3O4.
What is the molecular weight of 4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid?
The molecular weight of 4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid is 223.06 g/mol.
Where can I buy 4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid?
You can request a quote for 4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.