Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate
TL;DR: Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate (CAS 893778-49-9) is a chemical compound with molecular formula C12H15NO5S and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
Also Known As: methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate, methyl 2-hydroxy-5-(pyrrolidin-1-ylsulfonyl)benzoate, methyl 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate, AO-080/43441477, methyl 2-hydroxy-5-(pyrrolidinylsulfonyl)benzoate
| Molecular Formula | C12H15NO5S |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 0.9633 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.0671 |
| Heavy Atoms | 19 |
| Complexity | 590.1373 |
Chemical Identifiers
| CAS Number | 893778-49-9 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)O |
Product Overview
Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate (CAS 893778-49-9), with molecular formula C12H15NO5S and molecular weight 285.07 g/mol. IUPAC: methyl 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate.
Chemical Property Profile of Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate
Property Insights of Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate
The XLogP value of 0.9633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate. Following Lipinski's Rule of Five, Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate has 1 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 Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate?
The CAS number of Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate is 893778-49-9.
What is the molecular formula of Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate?
The molecular formula of Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate is C12H15NO5S.
What is the molecular weight of Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate?
The molecular weight of Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate is 285.07 g/mol.
Where can I buy Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate?
You can request a quote for Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.