![Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate structure](/static/products/860/860784-73-2.png)
Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate
TL;DR: Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate (CAS 860784-73-2) is a chemical compound with molecular formula C21H14Cl2N2O2S and molecular weight 428.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-(2,4-dichlorophenyl)sulfanyl-2-phenylpyridine-3-carboxylate
Also Known As: 12K-355S, ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate, ethyl 5-cyano-6-(2,4-dichlorophenyl)sulfanyl-2-phenylpyridine-3-carboxylate, ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylpyridine-3-carboxylate, Ethyl 5-cyano-6-(2,4-dichlorophenyl)sulfanyl-2-phenyl-pyridine-3-carboxylate
| Molecular Formula | C21H14Cl2N2O2S |
|---|---|
| Molecular Weight | 428.02 g/mol |
| LogP | 6.25498 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.0153 |
| Heavy Atoms | 28 |
| Complexity | 1065.991 |
Chemical Identifiers
| CAS Number | 860784-73-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3 |
Product Overview
Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate (CAS 860784-73-2), with molecular formula C21H14Cl2N2O2S and molecular weight 428.02 g/mol. IUPAC: ethyl 5-cyano-6-(2,4-dichlorophenyl)sulfanyl-2-phenylpyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate
Property Insights of Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate
The XLogP value of 6.25498 indicates that Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate. Following Lipinski's Rule of Five, Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate 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 Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate?
The CAS number of Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate is 860784-73-2.
What is the molecular formula of Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate?
The molecular formula of Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate is C21H14Cl2N2O2S.
What is the molecular weight of Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate?
The molecular weight of Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate is 428.02 g/mol.
Where can I buy Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate?
You can request a quote for Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-6-[(2,4-dichlorophenyl)sulfanyl]-2-phenylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.