2-(((Aminocarbonyl)amino)carbonyl)benzoic acid
TL;DR: 2-(((Aminocarbonyl)amino)carbonyl)benzoic acid (CAS 13435-16-0) is a chemical compound with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carbamoylcarbamoyl)benzoic acid
Also Known As: Phthalic acid monoureide, N-Carbamoylphthalamic acid, Phthalamic acid, N-carbamoyl-, N-Carbamoylphthalamidic acid, 2-(carbamoylcarbamoyl)benzoic acid
| Molecular Formula | C9H8N2O4 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.0484 |
| Heavy Atoms | 15 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 13435-16-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=O)N)C(=O)O |
| InChIKey | ZGWSIKBJQLBUPK-UHFFFAOYSA-N |
Product Overview
2-(((Aminocarbonyl)amino)carbonyl)benzoic acid (CAS 13435-16-0), with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol. IUPAC: 2-(carbamoylcarbamoyl)benzoic acid.
Chemical Property Profile of 2-(((Aminocarbonyl)amino)carbonyl)benzoic acid
Property Insights of 2-(((Aminocarbonyl)amino)carbonyl)benzoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((Aminocarbonyl)amino)carbonyl)benzoic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((Aminocarbonyl)amino)carbonyl)benzoic acid. Following Lipinski's Rule of Five, 2-(((Aminocarbonyl)amino)carbonyl)benzoic acid has 3 hydrogen bond donor(s) and 4 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 2-(((Aminocarbonyl)amino)carbonyl)benzoic acid?
The CAS number of 2-(((Aminocarbonyl)amino)carbonyl)benzoic acid is 13435-16-0.
What is the molecular formula of 2-(((Aminocarbonyl)amino)carbonyl)benzoic acid?
The molecular formula of 2-(((Aminocarbonyl)amino)carbonyl)benzoic acid is C9H8N2O4.
What is the molecular weight of 2-(((Aminocarbonyl)amino)carbonyl)benzoic acid?
The molecular weight of 2-(((Aminocarbonyl)amino)carbonyl)benzoic acid is 208.05 g/mol.
Where can I buy 2-(((Aminocarbonyl)amino)carbonyl)benzoic acid?
You can request a quote for 2-(((Aminocarbonyl)amino)carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((Aminocarbonyl)amino)carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((Aminocarbonyl)amino)carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.