RefChem:1056310
TL;DR: RefChem:1056310 (CAS 108477-28-7) is a chemical compound with molecular formula C18H22Cl2N2O2 and molecular weight 368.10583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-phenyl-2-pyrrolidin-1-ylethyl) pyridine-4-carboxylate;dihydrochloride
Also Known As: ISONICOTINIC ACID, alpha-(1-PYRROLIDINYLMETHYL)BENZYL ESTER, DIHYDROCHLORIDE, 1-Phenyl-2-(pyrrolidin-1-yl)ethyl pyridine-4-carboxylate--hydrogen chloride (1/2), (1-phenyl-2-pyrrolidin-1-ylethyl) pyridine-4-carboxylate dihydrochloride, isonicotinic acid,, A-(1-pyrrolidinylmethyl)benzyl ester, dihydrochloride
Technical Specifications
| Molecular Formula | C18H22Cl2N2O2 |
| Molecular Weight | 368.10583 g/mol |
| XLogP | 3.92 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.10583 Da |
| Heavy Atoms | 24 |
| Complexity | 343.0 |
| SMILES | C1CCN(C1)CC(C2=CC=CC=C2)OC(=O)C3=CC=NC=C3.Cl.Cl |
| InChIKey | YOSPOZCENYCNSJ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1056310
Property Insights of RefChem:1056310
The XLogP value of 3.92 indicates that RefChem:1056310 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, RefChem:1056310 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056310 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
What is the CAS number of RefChem:1056310?
The CAS number of RefChem:1056310 is 108477-28-7.
What is the molecular formula of RefChem:1056310?
The molecular formula of RefChem:1056310 is C18H22Cl2N2O2.
What is the molecular weight of RefChem:1056310?
The molecular weight of RefChem:1056310 is 368.10583 g/mol.
Where can I buy RefChem:1056310?
You can request a quote for RefChem:1056310 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1056310?
Yes, CoreyChem provides custom synthesis services for RefChem:1056310 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.