2-(Octan-2-ylamino)ethyl 4-aminobenzoate
TL;DR: 2-(Octan-2-ylamino)ethyl 4-aminobenzoate (CAS 69781-30-2) is a chemical compound with molecular formula C17H28N2O2 and molecular weight 292.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(octan-2-ylamino)ethyl 4-aminobenzoate
Also Known As: 2-(octan-2-ylamino)ethyl 4-aminobenzoate, p-Aminobenzoic acid 2-((1-methylheptyl)amino)ethyl ester hydrochloride, BENZOIC ACID, p-AMINO-, 2-((1-METHYLHEPTYL)AMINO)ETHYL ESTER, HYDROCHLORIDE
| Molecular Formula | C17H28N2O2 |
|---|---|
| Molecular Weight | 292.22 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 292.2151 |
| Heavy Atoms | 21 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 69781-30-2 |
|---|---|
| SMILES | CCCCCCC(C)NCCOC(=O)C1=CC=C(C=C1)N |
| InChIKey | BWKVGJASZQNEDR-UHFFFAOYSA-N |
Product Overview
2-(Octan-2-ylamino)ethyl 4-aminobenzoate (CAS 69781-30-2), with molecular formula C17H28N2O2 and molecular weight 292.22 g/mol. IUPAC: 2-(octan-2-ylamino)ethyl 4-aminobenzoate.
Chemical Property Profile of 2-(Octan-2-ylamino)ethyl 4-aminobenzoate
Property Insights of 2-(Octan-2-ylamino)ethyl 4-aminobenzoate
The XLogP value of 4.0 indicates that 2-(Octan-2-ylamino)ethyl 4-aminobenzoate 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 2-(Octan-2-ylamino)ethyl 4-aminobenzoate. Following Lipinski's Rule of Five, 2-(Octan-2-ylamino)ethyl 4-aminobenzoate 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 2-(Octan-2-ylamino)ethyl 4-aminobenzoate?
The CAS number of 2-(Octan-2-ylamino)ethyl 4-aminobenzoate is 69781-30-2.
What is the molecular formula of 2-(Octan-2-ylamino)ethyl 4-aminobenzoate?
The molecular formula of 2-(Octan-2-ylamino)ethyl 4-aminobenzoate is C17H28N2O2.
What is the molecular weight of 2-(Octan-2-ylamino)ethyl 4-aminobenzoate?
The molecular weight of 2-(Octan-2-ylamino)ethyl 4-aminobenzoate is 292.22 g/mol.
Where can I buy 2-(Octan-2-ylamino)ethyl 4-aminobenzoate?
You can request a quote for 2-(Octan-2-ylamino)ethyl 4-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Octan-2-ylamino)ethyl 4-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Octan-2-ylamino)ethyl 4-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.