![(2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate structure](/static/products/5455/5455-50-5.webp)
(2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate
TL;DR: (2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate (CAS 5455-50-5) is a chemical compound with molecular formula C25H20ClN3O5S and molecular weight 509.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-cyanoanilino)-2-oxoethyl] 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
Also Known As: (2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate, [2-(2-cyanoanilino)-2-oxoethyl] 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
| Molecular Formula | C25H20ClN3O5S |
|---|---|
| Molecular Weight | 509.08 g/mol |
| LogP | 4.38848 |
| Topological Polar Surface Area | 116.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 509.0812 |
| Heavy Atoms | 35 |
| Complexity | 1399.0997 |
Chemical Identifiers
| CAS Number | 5455-50-5 |
|---|---|
| SMILES | C=CCN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3C#N |
Product Overview
(2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate (CAS 5455-50-5), with molecular formula C25H20ClN3O5S and molecular weight 509.08 g/mol. IUPAC: [2-(2-cyanoanilino)-2-oxoethyl] 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate.
Chemical Property Profile of (2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate
Property Insights of (2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate
The XLogP value of 4.38848 indicates that (2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.57 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate. Following Lipinski's Rule of Five, (2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate?
The CAS number of (2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate is 5455-50-5.
What is the molecular formula of (2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate?
The molecular formula of (2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate is C25H20ClN3O5S.
What is the molecular weight of (2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate?
The molecular weight of (2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate is 509.08 g/mol.
Where can I buy (2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate?
You can request a quote for (2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-cyanophenyl)carbamoylmethyl 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.