Ethyl 4-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate
TL;DR: Ethyl 4-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate (CAS 690681-65-3) is a chemical compound with molecular formula C22H19ClN2O5S and molecular weight 458.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-chloro-5-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
Also Known As: SABA1, EX-A12375, Ethyl 4-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate, ethyl 4-[[2-chloro-5-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
| Molecular Formula | C22H19ClN2O5S |
|---|---|
| Molecular Weight | 458.07 g/mol |
| LogP | 4.5698 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.0703 |
| Heavy Atoms | 31 |
| Complexity | 1196.3307 |
Chemical Identifiers
| CAS Number | 690681-65-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3)Cl |
Product Overview
Ethyl 4-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate (CAS 690681-65-3), with molecular formula C22H19ClN2O5S and molecular weight 458.07 g/mol. IUPAC: ethyl 4-[[2-chloro-5-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate.
Chemical Property Profile of Ethyl 4-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate
Property Insights of Ethyl 4-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate
The XLogP value of 4.5698 indicates that Ethyl 4-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate has 2 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-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate?
The CAS number of Ethyl 4-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate is 690681-65-3.
What is the molecular formula of Ethyl 4-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate?
The molecular formula of Ethyl 4-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate is C22H19ClN2O5S.
What is the molecular weight of Ethyl 4-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate?
The molecular weight of Ethyl 4-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate is 458.07 g/mol.
Where can I buy Ethyl 4-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate?
You can request a quote for Ethyl 4-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)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-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((2-chloro-5-(phenylcarbamoyl)phenyl)sulfonamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.