Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate
TL;DR: Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate (CAS 494839-04-2) is a chemical compound with molecular formula C12H15NO4S and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-pyrrolidin-1-ylsulfonylbenzoate
Also Known As: methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate, methyl 3-(pyrrolidine-1-sulfonyl)benzoate, methyl 3-pyrrolidin-1-ylsulfonylbenzoate, methyl3-(pyrrolidine-1-sulfonyl)benzoate, 3-(Pyrrolidine-1-sulfonyl)-benzoic acid methyl ester
| Molecular Formula | C12H15NO4S |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 1.2577 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.07217 |
| Heavy Atoms | 18 |
| Complexity | 546.95074 |
Chemical Identifiers
| CAS Number | 494839-04-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2 |
Product Overview
Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate (CAS 494839-04-2), with molecular formula C12H15NO4S and molecular weight 269.07 g/mol. IUPAC: methyl 3-pyrrolidin-1-ylsulfonylbenzoate.
Chemical Property Profile of Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate
Property Insights of Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate
The XLogP value of 1.2577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate has 0 hydrogen bond donor(s) and 4 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 Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate?
The CAS number of Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate is 494839-04-2.
What is the molecular formula of Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate?
The molecular formula of Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate is C12H15NO4S.
What is the molecular weight of Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate?
The molecular weight of Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate is 269.07 g/mol.
Where can I buy Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate?
You can request a quote for Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(pyrrolidin-1-ylsulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.