Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl-
TL;DR: Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl- (CAS 127971-58-8) is a chemical compound with molecular formula C13H15N3O8 and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-carboxybutan-2-ylamino)-2-methyl-3,5-dinitrobenzoic acid
Also Known As: 4-((1-(Carboxymethyl)propyl)amino)-3,5-dinitro-2-methylbenzoic acid, 4-((1-(Carboxymethyl)propyl)amino)-2-methyl-3,5-dinitrobenzoic acid, Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl-, 4-(1-carboxybutan-2-ylamino)-2-methyl-3,5-dinitrobenzoic acid, 4-[(1-CARBOXYBUTAN-2-YL)AMINO]-2-METHYL-3,5-DINITROBENZOIC ACID
| Molecular Formula | C13H15N3O8 |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 2.17482 |
| Topological Polar Surface Area | 172.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 341.0859 |
| Heavy Atoms | 24 |
| Complexity | 715.6586 |
Chemical Identifiers
| CAS Number | 127971-58-8 |
|---|---|
| SMILES | CCC(CC(=O)O)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C(=O)O)[N+](=O)[O-] |
Product Overview
Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl- (CAS 127971-58-8), with molecular formula C13H15N3O8 and molecular weight 341.09 g/mol. IUPAC: 4-(1-carboxybutan-2-ylamino)-2-methyl-3,5-dinitrobenzoic acid.
Chemical Property Profile of Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl-
Property Insights of Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl-
The XLogP value of 2.17482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl-. The TPSA of 172.91 Ų indicates high polarity, suggesting Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl- 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 Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl-?
The CAS number of Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl- is 127971-58-8.
What is the molecular formula of Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl-?
The molecular formula of Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl- is C13H15N3O8.
What is the molecular weight of Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl-?
The molecular weight of Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl- is 341.09 g/mol.
Where can I buy Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl-?
You can request a quote for Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.