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Ethyl 6-[(4-chlorophenyl)sulfanyl]-5-cyano-2-phenylnicotinate
TL;DR: Ethyl 6-[(4-chlorophenyl)sulfanyl]-5-cyano-2-phenylnicotinate (CAS 306980-01-8) is a chemical compound with molecular formula C21H15ClN2O2S and molecular weight 394.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(4-chlorophenyl)sulfanyl-5-cyano-2-phenylpyridine-3-carboxylate
Also Known As: Bionet1_002295, 12K-328S, ethyl 6-[(4-chlorophenyl)sulfanyl]-5-cyano-2-phenylnicotinate, Ethyl 6-((4-chlorophenyl)sulfanyl)-5-cyano-2-phenylnicotinate, ethyl 6-[(4-chlorophenyl)sulfanyl]-5-cyano-2-phenylpyridine-3-carboxylate
| Molecular Formula | C21H15ClN2O2S |
|---|---|
| Molecular Weight | 394.05 g/mol |
| LogP | 5.60158 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.0543 |
| Heavy Atoms | 27 |
| Complexity | 999.18536 |
Chemical Identifiers
| CAS Number | 306980-01-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
Product Overview
Ethyl 6-[(4-chlorophenyl)sulfanyl]-5-cyano-2-phenylnicotinate (CAS 306980-01-8), with molecular formula C21H15ClN2O2S and molecular weight 394.05 g/mol. IUPAC: ethyl 6-(4-chlorophenyl)sulfanyl-5-cyano-2-phenylpyridine-3-carboxylate.
Chemical Property Profile of Ethyl 6-[(4-chlorophenyl)sulfanyl]-5-cyano-2-phenylnicotinate
Property Insights of Ethyl 6-[(4-chlorophenyl)sulfanyl]-5-cyano-2-phenylnicotinate
The XLogP value of 5.60158 indicates that Ethyl 6-[(4-chlorophenyl)sulfanyl]-5-cyano-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 6-[(4-chlorophenyl)sulfanyl]-5-cyano-2-phenylnicotinate. Following Lipinski's Rule of Five, Ethyl 6-[(4-chlorophenyl)sulfanyl]-5-cyano-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 6-[(4-chlorophenyl)sulfanyl]-5-cyano-2-phenylnicotinate?
The CAS number of Ethyl 6-[(4-chlorophenyl)sulfanyl]-5-cyano-2-phenylnicotinate is 306980-01-8.
What is the molecular formula of Ethyl 6-[(4-chlorophenyl)sulfanyl]-5-cyano-2-phenylnicotinate?
The molecular formula of Ethyl 6-[(4-chlorophenyl)sulfanyl]-5-cyano-2-phenylnicotinate is C21H15ClN2O2S.
What is the molecular weight of Ethyl 6-[(4-chlorophenyl)sulfanyl]-5-cyano-2-phenylnicotinate?
The molecular weight of Ethyl 6-[(4-chlorophenyl)sulfanyl]-5-cyano-2-phenylnicotinate is 394.05 g/mol.
Where can I buy Ethyl 6-[(4-chlorophenyl)sulfanyl]-5-cyano-2-phenylnicotinate?
You can request a quote for Ethyl 6-[(4-chlorophenyl)sulfanyl]-5-cyano-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 6-[(4-chlorophenyl)sulfanyl]-5-cyano-2-phenylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-[(4-chlorophenyl)sulfanyl]-5-cyano-2-phenylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.