Ethyl 5-sulphamoyl-o-anisate
TL;DR: Ethyl 5-sulphamoyl-o-anisate (CAS 33045-53-3) is a chemical compound with molecular formula C10H13NO5S and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methoxy-5-sulfamoylbenzoate
Also Known As: ethyl 2-methoxy-5-sulfamoylbenzoate, Ethyl 5-sulphamoyl-o-anisate, Sulpiride EP impurity C, Sulpiride Impurity C, Benzoic acid, 5-(aminosulfonyl)-2-methoxy-, ethyl ester
| Molecular Formula | C10H13NO5S |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.05145 |
| Heavy Atoms | 17 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 33045-53-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)OC |
| InChIKey | ZQSFLXDMGBSJKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-sulphamoyl-o-anisate (CAS 33045-53-3), with molecular formula C10H13NO5S and molecular weight 259.05 g/mol. IUPAC: ethyl 2-methoxy-5-sulfamoylbenzoate.
Chemical Property Profile of Ethyl 5-sulphamoyl-o-anisate
Property Insights of Ethyl 5-sulphamoyl-o-anisate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-sulphamoyl-o-anisate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-sulphamoyl-o-anisate. Following Lipinski's Rule of Five, Ethyl 5-sulphamoyl-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 Ethyl 5-sulphamoyl-o-anisate?
The CAS number of Ethyl 5-sulphamoyl-o-anisate is 33045-53-3.
What is the molecular formula of Ethyl 5-sulphamoyl-o-anisate?
The molecular formula of Ethyl 5-sulphamoyl-o-anisate is C10H13NO5S.
What is the molecular weight of Ethyl 5-sulphamoyl-o-anisate?
The molecular weight of Ethyl 5-sulphamoyl-o-anisate is 259.05 g/mol.
Where can I buy Ethyl 5-sulphamoyl-o-anisate?
You can request a quote for Ethyl 5-sulphamoyl-o-anisate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-sulphamoyl-o-anisate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-sulphamoyl-o-anisate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.