![2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid structure](/static/products/893/893766-03-5.png)
2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid
TL;DR: 2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid (CAS 893766-03-5) is a chemical compound with molecular formula C9H7N3O8 and molecular weight 285.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethylamino)-3,5-dinitrobenzoic acid
Also Known As: 2-[(carboxymethyl)amino]-3,5-dinitrobenzoic acid, 2-(carboxymethylamino)-3,5-dinitrobenzoic acid, A4073/0173550
| Molecular Formula | C9H7N3O8 |
|---|---|
| Molecular Weight | 285.02 g/mol |
| LogP | 0.6977 |
| Topological Polar Surface Area | 172.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.02332 |
| Heavy Atoms | 20 |
| Complexity | 576.2054 |
Chemical Identifiers
| CAS Number | 893766-03-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C(=O)O)NCC(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid (CAS 893766-03-5), with molecular formula C9H7N3O8 and molecular weight 285.02 g/mol. IUPAC: 2-(carboxymethylamino)-3,5-dinitrobenzoic acid.
Chemical Property Profile of 2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid
Property Insights of 2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid
The XLogP value of 0.6977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid. The TPSA of 172.91 Ų indicates high polarity, suggesting 2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid has 3 hydrogen bond donor(s) and 7 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-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid?
The CAS number of 2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid is 893766-03-5.
What is the molecular formula of 2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid?
The molecular formula of 2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid is C9H7N3O8.
What is the molecular weight of 2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid?
The molecular weight of 2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid is 285.02 g/mol.
Where can I buy 2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid?
You can request a quote for 2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Carboxymethyl)amino]-3,5-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.