Ethyl 4-(benzenesulfinamido)benzoate
TL;DR: Ethyl 4-(benzenesulfinamido)benzoate (CAS 34501-80-9) is a chemical compound with molecular formula C15H15NO3S and molecular weight 289.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(benzenesulfinamido)benzoate
Also Known As: ethyl 4-(benzenesulfinamido)benzoate, NCIOpen2_005986, ethyl 4-[(phenylsulfinyl)amino]benzoate, Benzolsulfinyl-N-p-carbethoxyphenylamid
| Molecular Formula | C15H15NO3S |
|---|---|
| Molecular Weight | 289.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.07727 |
| Heavy Atoms | 20 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 34501-80-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NS(=O)C2=CC=CC=C2 |
| InChIKey | XJGGSBLEXRIWMV-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(benzenesulfinamido)benzoate (CAS 34501-80-9), with molecular formula C15H15NO3S and molecular weight 289.08 g/mol. IUPAC: ethyl 4-(benzenesulfinamido)benzoate.
Chemical Property Profile of Ethyl 4-(benzenesulfinamido)benzoate
Property Insights of Ethyl 4-(benzenesulfinamido)benzoate
The XLogP value of 3.2 indicates that Ethyl 4-(benzenesulfinamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(benzenesulfinamido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(benzenesulfinamido)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 Ethyl 4-(benzenesulfinamido)benzoate?
The CAS number of Ethyl 4-(benzenesulfinamido)benzoate is 34501-80-9.
What is the molecular formula of Ethyl 4-(benzenesulfinamido)benzoate?
The molecular formula of Ethyl 4-(benzenesulfinamido)benzoate is C15H15NO3S.
What is the molecular weight of Ethyl 4-(benzenesulfinamido)benzoate?
The molecular weight of Ethyl 4-(benzenesulfinamido)benzoate is 289.08 g/mol.
Where can I buy Ethyl 4-(benzenesulfinamido)benzoate?
You can request a quote for Ethyl 4-(benzenesulfinamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(benzenesulfinamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(benzenesulfinamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.