Methyl 5-sulfamoyl-o-anisate
TL;DR: Methyl 5-sulfamoyl-o-anisate (CAS 33045-52-2) is a chemical compound with molecular formula C9H11NO5S and molecular weight 245.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methoxy-5-sulfamoylbenzoate
Also Known As: Methyl 2-methoxy-5-sulfamoylbenzoate, Sulpiride EP impurity B, Sulpiride Impurity B, Methyl 5-sulfamoyl-o-anisate, Methyl 5-sulphamoyl-o-anisate
| Molecular Formula | C9H11NO5S |
|---|---|
| Molecular Weight | 245.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.0358 |
| Heavy Atoms | 16 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 33045-52-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OC |
| InChIKey | MKDYDRQLKPGNNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-sulfamoyl-o-anisate (CAS 33045-52-2), with molecular formula C9H11NO5S and molecular weight 245.04 g/mol. IUPAC: methyl 2-methoxy-5-sulfamoylbenzoate.
Chemical Property Profile of Methyl 5-sulfamoyl-o-anisate
Property Insights of Methyl 5-sulfamoyl-o-anisate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-sulfamoyl-o-anisate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-sulfamoyl-o-anisate. Following Lipinski's Rule of Five, Methyl 5-sulfamoyl-o-anisate has 1 hydrogen bond donor(s) and 6 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 5-sulfamoyl-o-anisate?
The CAS number of Methyl 5-sulfamoyl-o-anisate is 33045-52-2.
What is the molecular formula of Methyl 5-sulfamoyl-o-anisate?
The molecular formula of Methyl 5-sulfamoyl-o-anisate is C9H11NO5S.
What is the molecular weight of Methyl 5-sulfamoyl-o-anisate?
The molecular weight of Methyl 5-sulfamoyl-o-anisate is 245.04 g/mol.
Where can I buy Methyl 5-sulfamoyl-o-anisate?
You can request a quote for Methyl 5-sulfamoyl-o-anisate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-sulfamoyl-o-anisate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-sulfamoyl-o-anisate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.