Benzoic acid, p-amino-, 2-(2-octylamino)-1,1-dimethylethyl ester
TL;DR: Benzoic acid, p-amino-, 2-(2-octylamino)-1,1-dimethylethyl ester (CAS 73713-53-8) is a chemical compound with molecular formula C19H32N2O2 and molecular weight 320.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-1-(octan-2-ylamino)propan-2-yl] 4-aminobenzoate
Also Known As: p-Aminobenzoic acid 2-(2-octylamino)-1,1-dimethylethyl ester, [2-methyl-1-(octan-2-ylamino)propan-2-yl] 4-aminobenzoate, BENZOIC ACID, p-AMINO-, 2-(2-OCTYLAMINO)-1,1-DIMETHYLETHYL ESTER, 2-Methyl-1-[(octan-2-yl)amino]propan-2-yl 4-aminobenzoate, 2-(1-Methylheptylamino)-1,1-dimethylethyl=p-aminobenzoate
| Molecular Formula | C19H32N2O2 |
|---|---|
| Molecular Weight | 320.25 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 320.24637 |
| Heavy Atoms | 23 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 73713-53-8 |
|---|---|
| SMILES | CCCCCCC(C)NCC(C)(C)OC(=O)C1=CC=C(C=C1)N |
| InChIKey | XLLDVDLJZBMTND-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-amino-, 2-(2-octylamino)-1,1-dimethylethyl ester (CAS 73713-53-8), with molecular formula C19H32N2O2 and molecular weight 320.25 g/mol. IUPAC: [2-methyl-1-(octan-2-ylamino)propan-2-yl] 4-aminobenzoate.
Chemical Property Profile of Benzoic acid, p-amino-, 2-(2-octylamino)-1,1-dimethylethyl ester
Property Insights of Benzoic acid, p-amino-, 2-(2-octylamino)-1,1-dimethylethyl ester
The XLogP value of 4.6 indicates that Benzoic acid, p-amino-, 2-(2-octylamino)-1,1-dimethylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-amino-, 2-(2-octylamino)-1,1-dimethylethyl ester. Following Lipinski's Rule of Five, Benzoic acid, p-amino-, 2-(2-octylamino)-1,1-dimethylethyl ester has 2 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 Benzoic acid, p-amino-, 2-(2-octylamino)-1,1-dimethylethyl ester?
The CAS number of Benzoic acid, p-amino-, 2-(2-octylamino)-1,1-dimethylethyl ester is 73713-53-8.
What is the molecular formula of Benzoic acid, p-amino-, 2-(2-octylamino)-1,1-dimethylethyl ester?
The molecular formula of Benzoic acid, p-amino-, 2-(2-octylamino)-1,1-dimethylethyl ester is C19H32N2O2.
What is the molecular weight of Benzoic acid, p-amino-, 2-(2-octylamino)-1,1-dimethylethyl ester?
The molecular weight of Benzoic acid, p-amino-, 2-(2-octylamino)-1,1-dimethylethyl ester is 320.25 g/mol.
Where can I buy Benzoic acid, p-amino-, 2-(2-octylamino)-1,1-dimethylethyl ester?
You can request a quote for Benzoic acid, p-amino-, 2-(2-octylamino)-1,1-dimethylethyl ester 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-(2-octylamino)-1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-amino-, 2-(2-octylamino)-1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.