2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)
TL;DR: 2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) (CAS 94997-12-3) is a chemical compound with molecular formula C18H22ClNO3 and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[2-(4-ethoxybenzoyl)oxyethyl]azanium chloride
Also Known As: p-Ethoxybenzoic acid 2-(benzylamino)ethyl ester hydrochloride, benzyl-[2-(4-ethoxybenzoyl)oxyethyl]azanium chloride, BENZOIC ACID, p-ETHOXY-, 2-(BENZYLAMINO)ETHYL ESTER, HYDROCHLORIDE, 2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1), RefChem:1061470
| Molecular Formula | C18H22ClNO3 |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | -0.99 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 335.1288 |
| Heavy Atoms | 23 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 94997-12-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)OCC[NH2+]CC2=CC=CC=C2.[Cl-] |
| InChIKey | OIJJGZFQRXKSAO-UHFFFAOYSA-N |
Product Overview
2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) (CAS 94997-12-3), with molecular formula C18H22ClNO3 and molecular weight 335.13 g/mol. IUPAC: benzyl-[2-(4-ethoxybenzoyl)oxyethyl]azanium chloride.
Chemical Property Profile of 2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)
Property Insights of 2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)
The XLogP value of -0.99 indicates that 2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.1 Ų, 2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) has 1 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-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)?
The CAS number of 2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) is 94997-12-3.
What is the molecular formula of 2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)?
The molecular formula of 2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) is C18H22ClNO3.
What is the molecular weight of 2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)?
The molecular weight of 2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) is 335.13 g/mol.
Where can I buy 2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)?
You can request a quote for 2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.