![2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate structure](/static/products/326/326914-46-9.png)
2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate
TL;DR: 2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate (CAS 326914-46-9) is a chemical compound with molecular formula C22H13Cl2NO3S and molecular weight 441.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
Also Known As: 2-(3,4-dichlorophenyl)-2-oxoethyl 2-((2-cyanophenyl)thio)benzoate, [2-(3,4-dichlorophenyl)-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate, [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate, 2-(3,4-dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate
| Molecular Formula | C22H13Cl2NO3S |
|---|---|
| Molecular Weight | 441.00 g/mol |
| LogP | 6.05598 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.99933 |
| Heavy Atoms | 29 |
| Complexity | 1125.0354 |
Chemical Identifiers
| CAS Number | 326914-46-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate (CAS 326914-46-9), with molecular formula C22H13Cl2NO3S and molecular weight 441.00 g/mol. IUPAC: [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate.
Chemical Property Profile of 2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate
Property Insights of 2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate
The XLogP value of 6.05598 indicates that 2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate. Following Lipinski's Rule of Five, 2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate?
The CAS number of 2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate is 326914-46-9.
What is the molecular formula of 2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate?
The molecular formula of 2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate is C22H13Cl2NO3S.
What is the molecular weight of 2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate?
The molecular weight of 2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate is 441.00 g/mol.
Where can I buy 2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate?
You can request a quote for 2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dichlorophenyl)-2-oxoethyl 2-[(2-cyanophenyl)sulfanyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.