Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate
TL;DR: Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate (CAS 69782-54-3) is a chemical compound with molecular formula C19H32N2O4 and molecular weight 352.24 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 acetate
Also Known As: p-Aminobenzoic acid 2-((1-methylheptyl)amino)ethyl ester acetate, BENZOIC ACID, p-AMINO-, 2-((1-METHYLHEPTYL)AMINO)ETHYL ESTER, ACETATE, 2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium acetate, RefChem:327884
| Molecular Formula | C19H32N2O4 |
|---|---|
| Molecular Weight | 352.24 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 352.2362 |
| Heavy Atoms | 25 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 69782-54-3 |
|---|---|
| SMILES | CCCCCCC(C)[NH2+]CCOC(=O)C1=CC=C(C=C1)N.CC(=O)[O-] |
| InChIKey | SLPRUBZJUBSBJO-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate (CAS 69782-54-3), with molecular formula C19H32N2O4 and molecular weight 352.24 g/mol. IUPAC: 2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium acetate.
Chemical Property Profile of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate
Property Insights of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate. Following Lipinski's Rule of Five, Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate 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 Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate?
The CAS number of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate is 69782-54-3.
What is the molecular formula of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate?
The molecular formula of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate is C19H32N2O4.
What is the molecular weight of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate?
The molecular weight of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate is 352.24 g/mol.
Where can I buy Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate?
You can request a quote for Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate 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, acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.