N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide
TL;DR: N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide (CAS 56768-71-9) is a chemical compound with molecular formula C15H14BrNO3S2 and molecular weight 398.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl 4-[(3-bromophenyl)sulfamoyl]benzenecarbothioate
Also Known As: O-ethyl 4-[(3-bromophenyl)sulfamoyl]benzenecarbothioate, N-(3-BROMOPHENYL)-4-ETHOXYCARBOTHIOYL-BENZENESULFONAMIDE, O-Ethyl 4-[(3-bromophenyl)sulfamoyl]benzene-1-carbothioate
| Molecular Formula | C15H14BrNO3S2 |
|---|---|
| Molecular Weight | 398.96 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.95984 |
| Heavy Atoms | 22 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 56768-71-9 |
|---|---|
| SMILES | CCOC(=S)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)Br |
| InChIKey | ANUQHXGPSYTOTR-UHFFFAOYSA-N |
Product Overview
N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide (CAS 56768-71-9), with molecular formula C15H14BrNO3S2 and molecular weight 398.96 g/mol. IUPAC: O-ethyl 4-[(3-bromophenyl)sulfamoyl]benzenecarbothioate.
Chemical Property Profile of N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide
Property Insights of N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide
The XLogP value of 4.0 indicates that N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide 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 N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide. Following Lipinski's Rule of Five, N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide 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 N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide?
The CAS number of N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide is 56768-71-9.
What is the molecular formula of N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide?
The molecular formula of N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide is C15H14BrNO3S2.
What is the molecular weight of N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide?
The molecular weight of N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide is 398.96 g/mol.
Where can I buy N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide?
You can request a quote for N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Bromophenyl)-4-ethoxycarbothioyl-benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.