C18H14Cl2N2O4S
TL;DR: C18H14Cl2N2O4S (CAS 1025151-93-2) is a chemical compound with molecular formula C18H14Cl2N2O4S and molecular weight 424.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[2-cyano-2-(2,5-dichlorophenyl)sulfonylethenyl]amino]benzoate
Also Known As: ETHYL 3-((2-((2,5-DICHLOROPHENYL)SULFONYL)-2-CYANOVINYL)AMINO)BENZOATE, Ethyl 3-[[2-cyano-2-(2,5-dichlorophenyl)sulfonyl-ethenyl]amino]benzoate, ethyl 3-[[2-cyano-2-(2,5-dichlorophenyl)sulfonyl-vinyl]amino]benzoate, ethyl 3-[[2-cyano-2-(2,5-dichlorophenyl)sulfonylethenyl]amino]benzoate, C18H14Cl2N2O4S
| Molecular Formula | C18H14Cl2N2O4S |
|---|---|
| Molecular Weight | 424.01 g/mol |
| LogP | 4.42088 |
| Topological Polar Surface Area | 96.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.00513 |
| Heavy Atoms | 27 |
| Complexity | 1043.5674 |
Chemical Identifiers
| CAS Number | 1025151-93-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC=C(C#N)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl |
Product Overview
C18H14Cl2N2O4S (CAS 1025151-93-2), with molecular formula C18H14Cl2N2O4S and molecular weight 424.01 g/mol. IUPAC: ethyl 3-[[2-cyano-2-(2,5-dichlorophenyl)sulfonylethenyl]amino]benzoate.
Chemical Property Profile of C18H14Cl2N2O4S
Property Insights of C18H14Cl2N2O4S
The XLogP value of 4.42088 indicates that C18H14Cl2N2O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.26 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H14Cl2N2O4S. Following Lipinski's Rule of Five, C18H14Cl2N2O4S 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 C18H14Cl2N2O4S?
The CAS number of C18H14Cl2N2O4S is 1025151-93-2.
What is the molecular formula of C18H14Cl2N2O4S?
The molecular formula of C18H14Cl2N2O4S is C18H14Cl2N2O4S.
What is the molecular weight of C18H14Cl2N2O4S?
The molecular weight of C18H14Cl2N2O4S is 424.01 g/mol.
Where can I buy C18H14Cl2N2O4S?
You can request a quote for C18H14Cl2N2O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H14Cl2N2O4S?
Yes, KEHONG BIO provides custom synthesis services for C18H14Cl2N2O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.