Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride
TL;DR: Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride (CAS 61035-90-3) is a chemical compound with molecular formula C14H22ClNO2 and molecular weight 271.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-aminoethyl)phenyl] hexanoate;hydrochloride
Also Known As: Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride, [4-(2-aminoethyl)phenyl] hexanoate hydrochloride, 4-(2-Aminoethyl)phenyl hexanoate--hydrogen chloride (1/1), RefChem:347695
| Molecular Formula | C14H22ClNO2 |
|---|---|
| Molecular Weight | 271.13 g/mol |
| LogP | 3.0953 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 271.1339 |
| Heavy Atoms | 18 |
| Complexity | 338.15216 |
Chemical Identifiers
| CAS Number | 61035-90-3 |
|---|---|
| SMILES | CCCCCC(=O)OC1=CC=C(C=C1)CCN.Cl |
Product Overview
Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride (CAS 61035-90-3), with molecular formula C14H22ClNO2 and molecular weight 271.13 g/mol. IUPAC: [4-(2-aminoethyl)phenyl] hexanoate;hydrochloride.
Chemical Property Profile of Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride
Property Insights of Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride
The XLogP value of 3.0953 indicates that Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.32 Ų, Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride has 1 hydrogen bond donor(s) and 3 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 Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride?
The CAS number of Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride is 61035-90-3.
What is the molecular formula of Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride?
The molecular formula of Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride is C14H22ClNO2.
What is the molecular weight of Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride?
The molecular weight of Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride is 271.13 g/mol.
Where can I buy Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride?
You can request a quote for Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 4-(2-aminoethyl)phenyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.