Butyl 5-sulphamoyl-o-anisate
TL;DR: Butyl 5-sulphamoyl-o-anisate (CAS 53371-99-6) is a chemical compound with molecular formula C12H17NO5S and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-methoxy-5-sulfamoylbenzoate
Also Known As: Butyl 5-sulphamoyl-o-anisate, butyl 2-methoxy-5-sulfamoylbenzoate, butyl5-sulphamoyl-o-anisate, BUTYL 5-SULFAMOYL-O-ANISATE, BUTYL 5-(AMINOSULFONYL)-2-METHOXYBENZOATE
| Molecular Formula | C12H17NO5S |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 287.08273 |
| Heavy Atoms | 19 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 53371-99-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)OC |
| InChIKey | OJHOGRODYNCEGX-UHFFFAOYSA-N |
Product Overview
Butyl 5-sulphamoyl-o-anisate (CAS 53371-99-6), with molecular formula C12H17NO5S and molecular weight 287.08 g/mol. IUPAC: butyl 2-methoxy-5-sulfamoylbenzoate.
Chemical Property Profile of Butyl 5-sulphamoyl-o-anisate
Property Insights of Butyl 5-sulphamoyl-o-anisate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 5-sulphamoyl-o-anisate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 5-sulphamoyl-o-anisate. Following Lipinski's Rule of Five, Butyl 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 Butyl 5-sulphamoyl-o-anisate?
The CAS number of Butyl 5-sulphamoyl-o-anisate is 53371-99-6.
What is the molecular formula of Butyl 5-sulphamoyl-o-anisate?
The molecular formula of Butyl 5-sulphamoyl-o-anisate is C12H17NO5S.
What is the molecular weight of Butyl 5-sulphamoyl-o-anisate?
The molecular weight of Butyl 5-sulphamoyl-o-anisate is 287.08 g/mol.
Where can I buy Butyl 5-sulphamoyl-o-anisate?
You can request a quote for Butyl 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 Butyl 5-sulphamoyl-o-anisate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 5-sulphamoyl-o-anisate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.