Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1)
TL;DR: Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1) (CAS 67031-51-0) is a chemical compound with molecular formula C23H36N2O9 and molecular weight 484.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium;3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate
Also Known As: C17H28N2O2.1/3C6H8O7, p-Aminobenzoic acid 2-((1-methylheptyl)amino)ethyl ester citrate (3:1), C17-H28-N2-O2.1/3C6-H8-O7, BENZOIC ACID, p-AMINO-, 2-((1-METHYLHEPTYL)AMINO)ETHYL ESTER, CITRATE (3:1), 2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium; 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate
| Molecular Formula | C23H36N2O9 |
|---|---|
| Molecular Weight | 484.24 g/mol |
| LogP | -0.38 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 484.2421 |
| Heavy Atoms | 34 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 67031-51-0 |
|---|---|
| SMILES | CCCCCCC(C)[NH2+]CCOC(=O)C1=CC=C(C=C1)N.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O |
| InChIKey | KXADUILFVSZACA-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1) (CAS 67031-51-0), with molecular formula C23H36N2O9 and molecular weight 484.24 g/mol. IUPAC: 2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium;3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate.
Chemical Property Profile of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1)
Property Insights of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1)
The XLogP value of -0.38 indicates that Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 204.0 Ų indicates high polarity, suggesting Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1) has 5 hydrogen bond donor(s) and 10 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, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1)?
The CAS number of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1) is 67031-51-0.
What is the molecular formula of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1)?
The molecular formula of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1) is C23H36N2O9.
What is the molecular weight of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1)?
The molecular weight of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1) is 484.24 g/mol.
Where can I buy Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1)?
You can request a quote for Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.