Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride
TL;DR: Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride (CAS 4922-74-1) is a chemical compound with molecular formula C16H18ClNO2 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-aminoethyl)phenyl] 2-methylbenzoate;hydrochloride
Also Known As: 4-(2-Aminoethyl)phenyl 2-methylbenzoate hydrochloride, Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride, 4-(2-aminoethyl)phenyl 2-methylbenzoate hydrochloride(1:1), [4-(2-aminoethyl)phenyl] 2-methylbenzoate hydrochloride, [4-(2-aminoethyl)phenyl] 2-methylbenzoate,hydrochloride
| Molecular Formula | C16H18ClNO2 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 3.13722 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.1026 |
| Heavy Atoms | 20 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 4922-74-1 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)CCN.Cl |
| InChIKey | PQPWUTCFQHYVPE-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride (CAS 4922-74-1), with molecular formula C16H18ClNO2 and molecular weight 291.10 g/mol. IUPAC: [4-(2-aminoethyl)phenyl] 2-methylbenzoate;hydrochloride.
Chemical Property Profile of Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride
Property Insights of Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride
The XLogP value of 3.13722 indicates that Benzoic acid, 2-methyl-, 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 52.3 Ų, Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride has 2 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 Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride?
The CAS number of Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride is 4922-74-1.
What is the molecular formula of Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride?
The molecular formula of Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride is C16H18ClNO2.
What is the molecular weight of Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride?
The molecular weight of Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride is 291.10 g/mol.
Where can I buy Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride?
You can request a quote for Benzoic acid, 2-methyl-, 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 Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-methyl-, 4-(2-aminoethyl)phenyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.