1-Phenyl-2-(pyrrolidin-1-yl)ethyl 3,4-dichlorobenzoate--hydrogen chloride (1/1)
TL;DR: 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 3,4-dichlorobenzoate--hydrogen chloride (1/1) (CAS 109554-80-5) is a chemical compound with molecular formula C19H20Cl3NO2 and molecular weight 399.05597 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-phenyl-2-pyrrolidin-1-ylethyl) 3,4-dichlorobenzoate;hydrochloride
Also Known As: alpha-Phenyl-1-pyrrolidineethanol 3,4-dichlorobenzoate (ester) hydrochloride, Benzoic acid, 3,4-dichloro-, alpha-(1-pyrrolidinylmethyl)benzyl ester, hydrochloride, 1-Pyrrolidineethanol, alpha-phenyl-, 3,4-dichlorobenzoate (ester), hydrochloride, 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 3,4-dichlorobenzoate--hydrogen chloride (1/1), (1-phenyl-2-pyrrolidin-1-ylethyl) 3,4-dichlorobenzoate hydrochloride
Technical Specifications
| Molecular Formula | C19H20Cl3NO2 |
| Molecular Weight | 399.05597 g/mol |
| XLogP | 5.4091 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.05597 Da |
| Heavy Atoms | 25 |
| Complexity | 408.0 |
| SMILES | C1CCN(C1)CC(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)Cl.Cl |
| InChIKey | PLXANVLIFWXARJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 3,4-dichlorobenzoate--hydrogen chloride (1/1)
Property Insights of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 3,4-dichlorobenzoate--hydrogen chloride (1/1)
The XLogP value of 5.4091 indicates that 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 3,4-dichlorobenzoate--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 29.5 Ų, 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 3,4-dichlorobenzoate--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 3,4-dichlorobenzoate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 3,4-dichlorobenzoate--hydrogen chloride (1/1)?
The CAS number of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 3,4-dichlorobenzoate--hydrogen chloride (1/1) is 109554-80-5.
What is the molecular formula of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 3,4-dichlorobenzoate--hydrogen chloride (1/1)?
The molecular formula of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 3,4-dichlorobenzoate--hydrogen chloride (1/1) is C19H20Cl3NO2.
What is the molecular weight of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 3,4-dichlorobenzoate--hydrogen chloride (1/1)?
The molecular weight of 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 3,4-dichlorobenzoate--hydrogen chloride (1/1) is 399.05597 g/mol.
Where can I buy 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 3,4-dichlorobenzoate--hydrogen chloride (1/1)?
You can request a quote for 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 3,4-dichlorobenzoate--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 3,4-dichlorobenzoate--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for 1-Phenyl-2-(pyrrolidin-1-yl)ethyl 3,4-dichlorobenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.