1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)
TL;DR: 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) (CAS 112818-75-4) is a chemical compound with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-phenyl-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate;hydrochloride
Also Known As: alpha-Phenyl-1-pyrrolidineethanol p-ethoxybenzoate (ester) hydrochloride, Benzoic acid, p-ethoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester hydrochloride, 1-Pyrrolidineethanol, alpha-phenyl-, p-ethoxybenzoate (ester), hydrochloride, 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1), (1-phenyl-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate hydrochloride
| Molecular Formula | C21H26ClNO3 |
|---|---|
| Molecular Weight | 375.16 g/mol |
| LogP | 4.501 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.16013 |
| Heavy Atoms | 26 |
| Complexity | 669.41534 |
Chemical Identifiers
| CAS Number | 112818-75-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)OC(CN2CCCC2)C3=CC=CC=C3.Cl |
Product Overview
1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) (CAS 112818-75-4), with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol. IUPAC: (1-phenyl-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate;hydrochloride.
Chemical Property Profile of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)
Property Insights of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)
The XLogP value of 4.501 indicates that 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) has 0 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 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)?
The CAS number of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) is 112818-75-4.
What is the molecular formula of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)?
The molecular formula of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) is C21H26ClNO3.
What is the molecular weight of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)?
The molecular weight of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) is 375.16 g/mol.
Where can I buy 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)?
You can request a quote for 1-Phenyl-2-(pyrrolidin-1-yl)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 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.