O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate
TL;DR: O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate (CAS 56768-75-3) is a chemical compound with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate
Also Known As: O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate, o-Ethyl-p-benzylsulfamoyl-thiobenzoat, O-Ethyl 4-(benzylsulfamoyl)benzene-1-carbothioate, N-BENZYL-4-ETHOXYCARBOTHIOYL-BENZENESULFONAMIDE, RefChem:366440
| Molecular Formula | C16H17NO3S2 |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.06497 |
| Heavy Atoms | 22 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 56768-75-3 |
|---|---|
| SMILES | CCOC(=S)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2 |
| InChIKey | VKRDELLPWJKEIJ-UHFFFAOYSA-N |
Product Overview
O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate (CAS 56768-75-3), with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol. IUPAC: O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate.
Chemical Property Profile of O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate
Property Insights of O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate
The XLogP value of 3.2 indicates that O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate. Following Lipinski's Rule of Five, O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate 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 O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate?
The CAS number of O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate is 56768-75-3.
What is the molecular formula of O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate?
The molecular formula of O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate is C16H17NO3S2.
What is the molecular weight of O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate?
The molecular weight of O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate is 335.06 g/mol.
Where can I buy O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate?
You can request a quote for O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl 4-(benzylsulfamoyl)benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.