3-(2-Chlorobenzyl)pyrrolidine oxalate
TL;DR: 3-(2-Chlorobenzyl)pyrrolidine oxalate (CAS 1188263-58-2) is a chemical compound with molecular formula C13H16ClNO4 and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methyl]pyrrolidine;oxalic acid
Also Known As: 3-(2-Chlorobenzyl)pyrrolidine oxalate, 3-(2-Chlorobenzyl)pyrrolidineoxalate, 3ABX-S02-4, 3-[(2-chlorophenyl)methyl]pyrrolidine;oxalic acid, 3-[(2-chlorophenyl)methyl]pyrrolidine; oxalic acid
| Molecular Formula | C13H16ClNO4 |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 1.6476 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.07678 |
| Heavy Atoms | 19 |
| Complexity | 432.0243 |
Chemical Identifiers
| CAS Number | 1188263-58-2 |
|---|---|
| SMILES | C1CNCC1CC2=CC=CC=C2Cl.C(=O)(C(=O)O)O |
Product Overview
3-(2-Chlorobenzyl)pyrrolidine oxalate (CAS 1188263-58-2), with molecular formula C13H16ClNO4 and molecular weight 285.08 g/mol. IUPAC: 3-[(2-chlorophenyl)methyl]pyrrolidine;oxalic acid.
Chemical Property Profile of 3-(2-Chlorobenzyl)pyrrolidine oxalate
Property Insights of 3-(2-Chlorobenzyl)pyrrolidine oxalate
The XLogP value of 1.6476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chlorobenzyl)pyrrolidine oxalate. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Chlorobenzyl)pyrrolidine oxalate. Following Lipinski's Rule of Five, 3-(2-Chlorobenzyl)pyrrolidine oxalate has 3 hydrogen bond donor(s) and 3 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 3-(2-Chlorobenzyl)pyrrolidine oxalate?
The CAS number of 3-(2-Chlorobenzyl)pyrrolidine oxalate is 1188263-58-2.
What is the molecular formula of 3-(2-Chlorobenzyl)pyrrolidine oxalate?
The molecular formula of 3-(2-Chlorobenzyl)pyrrolidine oxalate is C13H16ClNO4.
What is the molecular weight of 3-(2-Chlorobenzyl)pyrrolidine oxalate?
The molecular weight of 3-(2-Chlorobenzyl)pyrrolidine oxalate is 285.08 g/mol.
Where can I buy 3-(2-Chlorobenzyl)pyrrolidine oxalate?
You can request a quote for 3-(2-Chlorobenzyl)pyrrolidine oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chlorobenzyl)pyrrolidine oxalate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chlorobenzyl)pyrrolidine oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.