1-(5-Chloro-2-methoxybenzoyl)pyrrolidine
TL;DR: 1-(5-Chloro-2-methoxybenzoyl)pyrrolidine (CAS 349088-18-2) is a chemical compound with molecular formula C12H14ClNO2 and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
Also Known As: 1-(5-chloro-2-methoxybenzoyl)pyrrolidine, BAS 02257161, (5-chloro-2-methoxyphenyl)(pyrrolidin-1-yl)methanone, 5-chloro-2-methoxyphenyl pyrrolidinyl ketone, (5-chloro-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
| Molecular Formula | C12H14ClNO2 |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 2.5846 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.0713 |
| Heavy Atoms | 16 |
| Complexity | 400.00528 |
Chemical Identifiers
| CAS Number | 349088-18-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)C(=O)N2CCCC2 |
Product Overview
1-(5-Chloro-2-methoxybenzoyl)pyrrolidine (CAS 349088-18-2), with molecular formula C12H14ClNO2 and molecular weight 239.07 g/mol. IUPAC: (5-chloro-2-methoxyphenyl)-pyrrolidin-1-ylmethanone.
Chemical Property Profile of 1-(5-Chloro-2-methoxybenzoyl)pyrrolidine
Property Insights of 1-(5-Chloro-2-methoxybenzoyl)pyrrolidine
The XLogP value of 2.5846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Chloro-2-methoxybenzoyl)pyrrolidine. With a topological polar surface area (TPSA) of 29.54 Ų, 1-(5-Chloro-2-methoxybenzoyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Chloro-2-methoxybenzoyl)pyrrolidine has 0 hydrogen bond donor(s) and 2 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-(5-Chloro-2-methoxybenzoyl)pyrrolidine?
The CAS number of 1-(5-Chloro-2-methoxybenzoyl)pyrrolidine is 349088-18-2.
What is the molecular formula of 1-(5-Chloro-2-methoxybenzoyl)pyrrolidine?
The molecular formula of 1-(5-Chloro-2-methoxybenzoyl)pyrrolidine is C12H14ClNO2.
What is the molecular weight of 1-(5-Chloro-2-methoxybenzoyl)pyrrolidine?
The molecular weight of 1-(5-Chloro-2-methoxybenzoyl)pyrrolidine is 239.07 g/mol.
Where can I buy 1-(5-Chloro-2-methoxybenzoyl)pyrrolidine?
You can request a quote for 1-(5-Chloro-2-methoxybenzoyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Chloro-2-methoxybenzoyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Chloro-2-methoxybenzoyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.