Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride
TL;DR: Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride (CAS 69781-65-3) is a chemical compound with molecular formula C17H21ClN2O2 and molecular weight 320.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminobenzoyl)oxyethyl-benzyl-methylazanium chloride
Also Known As: p-Aminobenzoic acid 2-(N-benzyl-N-methylamino)ethyl ester hydrochloride, BENZOIC ACID, p-AMINO-, 2-(N-BENZYL-N-METHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, 2-(4-aminobenzoyl)oxyethyl-benzyl-methylazanium chloride, RefChem:1079292
| Molecular Formula | C17H21ClN2O2 |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | -1.86 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.12915 |
| Heavy Atoms | 22 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 69781-65-3 |
|---|---|
| SMILES | C[NH+](CCOC(=O)C1=CC=C(C=C1)N)CC2=CC=CC=C2.[Cl-] |
| InChIKey | JXQWMXLRYRIQFQ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride (CAS 69781-65-3), with molecular formula C17H21ClN2O2 and molecular weight 320.13 g/mol. IUPAC: 2-(4-aminobenzoyl)oxyethyl-benzyl-methylazanium chloride.
Chemical Property Profile of Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride
Property Insights of Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride
The XLogP value of -1.86 indicates that Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.8 Ų, Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride 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-(N-benzyl-N-methylamino)ethyl ester, hydrochloride?
The CAS number of Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride is 69781-65-3.
What is the molecular formula of Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride is C17H21ClN2O2.
What is the molecular weight of Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride is 320.13 g/mol.
Where can I buy Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl 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, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.