1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine
TL;DR: 1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine (CAS 226544-96-3) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine
Also Known As: 1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine, 1-((3,4-dimethoxyphenyl)sulfonyl)pyrrolidine, 1-[(3,4-dimethoxyphenyl)sulfonyl]pyrrolidine, BAS 02177565, 1-(3,4-Dimethoxy-benzenesulfonyl)-pyrrolidine
| Molecular Formula | C12H17NO4S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.08783 |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 226544-96-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)OC |
| InChIKey | VMGCIRQIOSUXBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine (CAS 226544-96-3), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine.
Chemical Property Profile of 1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine
Property Insights of 1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine has 0 hydrogen bond donor(s) and 5 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-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine?
The CAS number of 1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine is 226544-96-3.
What is the molecular formula of 1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine?
The molecular formula of 1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine is C12H17NO4S.
What is the molecular weight of 1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine?
The molecular weight of 1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine is 271.09 g/mol.
Where can I buy 1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine?
You can request a quote for 1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxyphenyl)sulfonylpyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.