1-(2-Chlorobenzyl)pyrrolidine
TL;DR: 1-(2-Chlorobenzyl)pyrrolidine (CAS 72249-97-9) is a chemical compound with molecular formula C11H14ClN and molecular weight 195.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chlorophenyl)methyl]pyrrolidine
Also Known As: 1-(2-chlorobenzyl)pyrrolidine, 1-[(2-chlorophenyl)methyl]pyrrolidine, N-(2-chlorobenzyl)-pyrrolidine, 1-(2-chlorophenyl)methylpyrrolidine
| Molecular Formula | C11H14ClN |
|---|---|
| Molecular Weight | 195.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.08148 |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 72249-97-9 |
|---|---|
| SMILES | C1CCN(C1)CC2=CC=CC=C2Cl |
| InChIKey | XIUPKYDFTUADKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Chlorobenzyl)pyrrolidine (CAS 72249-97-9), with molecular formula C11H14ClN and molecular weight 195.08 g/mol. IUPAC: 1-[(2-chlorophenyl)methyl]pyrrolidine.
Chemical Property Profile of 1-(2-Chlorobenzyl)pyrrolidine
Property Insights of 1-(2-Chlorobenzyl)pyrrolidine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chlorobenzyl)pyrrolidine. With a topological polar surface area (TPSA) of 3.2 Ų, 1-(2-Chlorobenzyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chlorobenzyl)pyrrolidine has 0 hydrogen bond donor(s) and 1 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-(2-Chlorobenzyl)pyrrolidine?
The CAS number of 1-(2-Chlorobenzyl)pyrrolidine is 72249-97-9.
What is the molecular formula of 1-(2-Chlorobenzyl)pyrrolidine?
The molecular formula of 1-(2-Chlorobenzyl)pyrrolidine is C11H14ClN.
What is the molecular weight of 1-(2-Chlorobenzyl)pyrrolidine?
The molecular weight of 1-(2-Chlorobenzyl)pyrrolidine is 195.08 g/mol.
Where can I buy 1-(2-Chlorobenzyl)pyrrolidine?
You can request a quote for 1-(2-Chlorobenzyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chlorobenzyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chlorobenzyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.