Benzoic acid, p-amino-, 2-(2-octylamino)-2,2-dimethylethyl ester
TL;DR: Benzoic acid, p-amino-, 2-(2-octylamino)-2,2-dimethylethyl ester (CAS 4706-15-4) 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-methylpropyl 4-amino-2-(octan-2-ylamino)benzoate
Also Known As: p-Aminobenzoic acid 2-(2-octylamino)-2,2-dimethylethyl ester, 2-methylpropyl 4-amino-2-(octan-2-ylamino)benzoate, 4-(4-Methoxy-2,5-dimethyl-phenyl)-buttersaeure, BENZOIC ACID, p-AMINO-, 2-(2-OCTYLAMINO)-2,2-DIMETHYLETHYL ESTER, 2-Methylpropyl 4-amino-2-[(octan-2-yl)amino]benzoate
| Molecular Formula | C19H32N2O2 |
|---|---|
| Molecular Weight | 320.25 g/mol |
| LogP | 6.3 |
| 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 | 333.0 |
Chemical Identifiers
| CAS Number | 4706-15-4 |
|---|---|
| SMILES | CCCCCCC(C)NC1=C(C=CC(=C1)N)C(=O)OCC(C)C |
| InChIKey | HQTQNLPXPPYNLO-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-amino-, 2-(2-octylamino)-2,2-dimethylethyl ester (CAS 4706-15-4), with molecular formula C19H32N2O2 and molecular weight 320.25 g/mol. IUPAC: 2-methylpropyl 4-amino-2-(octan-2-ylamino)benzoate.
Chemical Property Profile of Benzoic acid, p-amino-, 2-(2-octylamino)-2,2-dimethylethyl ester
Property Insights of Benzoic acid, p-amino-, 2-(2-octylamino)-2,2-dimethylethyl ester
The XLogP value of 6.3 indicates that Benzoic acid, p-amino-, 2-(2-octylamino)-2,2-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)-2,2-dimethylethyl ester. Following Lipinski's Rule of Five, Benzoic acid, p-amino-, 2-(2-octylamino)-2,2-dimethylethyl ester has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, p-amino-, 2-(2-octylamino)-2,2-dimethylethyl ester?
The CAS number of Benzoic acid, p-amino-, 2-(2-octylamino)-2,2-dimethylethyl ester is 4706-15-4.
What is the molecular formula of Benzoic acid, p-amino-, 2-(2-octylamino)-2,2-dimethylethyl ester?
The molecular formula of Benzoic acid, p-amino-, 2-(2-octylamino)-2,2-dimethylethyl ester is C19H32N2O2.
What is the molecular weight of Benzoic acid, p-amino-, 2-(2-octylamino)-2,2-dimethylethyl ester?
The molecular weight of Benzoic acid, p-amino-, 2-(2-octylamino)-2,2-dimethylethyl ester is 320.25 g/mol.
Where can I buy Benzoic acid, p-amino-, 2-(2-octylamino)-2,2-dimethylethyl ester?
You can request a quote for Benzoic acid, p-amino-, 2-(2-octylamino)-2,2-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)-2,2-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-amino-, 2-(2-octylamino)-2,2-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.