1-Phenyl-2-(pyrrolidin-1-yl)ethyl phenoxyacetate--hydrogen chloride (1/1)
TL;DR: 1-Phenyl-2-(pyrrolidin-1-yl)ethyl phenoxyacetate--hydrogen chloride (1/1) (CAS 94576-80-4) is a chemical compound with molecular formula C20H24ClNO3 and molecular weight 361.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-phenyl-2-pyrrolidin-1-ium-1-ylethyl) 2-phenoxyacetate chloride
Also Known As: Phenoxyacetic acid alpha-(1-pyrrolidinylmethyl)benzyl ester hydrochloride, ACETIC ACID, PHENOXY-, alpha-(1-PYRROLIDINYLMETHYL)BENZYL ESTER, HYDROCHLORIDE, (1-phenyl-2-pyrrolidin-1-ium-1-ylethyl) 2-phenoxyacetate chloride, 1-Phenyl-2-(pyrrolidin-1-yl)ethyl phenoxyacetate--hydrogen chloride (1/1), RefChem:1056309
| Molecular Formula | C20H24ClNO3 |
|---|---|
| Molecular Weight | 361.14 g/mol |
| LogP | -0.97 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.14447 |
| Heavy Atoms | 25 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 94576-80-4 |
|---|---|
| SMILES | C1CC[NH+](C1)CC(C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3.[Cl-] |
| InChIKey | FCOUISAEKDBMMX-UHFFFAOYSA-N |
Product Overview
1-Phenyl-2-(pyrrolidin-1-yl)ethyl phenoxyacetate--hydrogen chloride (1/1) (CAS 94576-80-4), with molecular formula C20H24ClNO3 and molecular weight 361.14 g/mol. IUPAC: (1-phenyl-2-pyrrolidin-1-ium-1-ylethyl) 2-phenoxyacetate chloride.
Chemical Property Profile of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl phenoxyacetate--hydrogen chloride (1/1)
Property Insights of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl phenoxyacetate--hydrogen chloride (1/1)
The XLogP value of -0.97 indicates that 1-Phenyl-2-(pyrrolidin-1-yl)ethyl phenoxyacetate--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 40.0 Ų, 1-Phenyl-2-(pyrrolidin-1-yl)ethyl phenoxyacetate--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 phenoxyacetate--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 1-Phenyl-2-(pyrrolidin-1-yl)ethyl phenoxyacetate--hydrogen chloride (1/1)?
The CAS number of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl phenoxyacetate--hydrogen chloride (1/1) is 94576-80-4.
What is the molecular formula of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl phenoxyacetate--hydrogen chloride (1/1)?
The molecular formula of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl phenoxyacetate--hydrogen chloride (1/1) is C20H24ClNO3.
What is the molecular weight of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl phenoxyacetate--hydrogen chloride (1/1)?
The molecular weight of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl phenoxyacetate--hydrogen chloride (1/1) is 361.14 g/mol.
Where can I buy 1-Phenyl-2-(pyrrolidin-1-yl)ethyl phenoxyacetate--hydrogen chloride (1/1)?
You can request a quote for 1-Phenyl-2-(pyrrolidin-1-yl)ethyl phenoxyacetate--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 phenoxyacetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-2-(pyrrolidin-1-yl)ethyl phenoxyacetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.