![Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate structure](/static/products/445/445391-33-3.png)
Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate
TL;DR: Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate (CAS 445391-33-3) is a chemical compound with molecular formula C16H13Cl2N3O2S and molecular weight 381.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-5-cyano-6-[(3,4-dichlorophenyl)methylsulfanyl]pyridine-3-carboxylate
Also Known As: AM-807/41063020, ethyl 2-amino-5-cyano-6-((3,4-dichlorobenzyl)thio)nicotinate, ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate, ethyl 2-amino-5-cyano-6-[(3,4-dichlorophenyl)methylsulfanyl]pyridine-3-carboxylate, ethyl 2-amino-6-[(3,4-dichlorophenyl)methylthio]-5-cyanopyridine-3-carboxylate
| Molecular Formula | C16H13Cl2N3O2S |
|---|---|
| Molecular Weight | 381.01 g/mol |
| LogP | 4.31128 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.01056 |
| Heavy Atoms | 24 |
| Complexity | 821.7003 |
Chemical Identifiers
| CAS Number | 445391-33-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC(=C(C=C2)Cl)Cl)N |
Product Overview
Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate (CAS 445391-33-3), with molecular formula C16H13Cl2N3O2S and molecular weight 381.01 g/mol. IUPAC: ethyl 2-amino-5-cyano-6-[(3,4-dichlorophenyl)methylsulfanyl]pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate
Property Insights of Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate
The XLogP value of 4.31128 indicates that Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate has 1 hydrogen bond donor(s) and 6 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 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate?
The CAS number of Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate is 445391-33-3.
What is the molecular formula of Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate?
The molecular formula of Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate is C16H13Cl2N3O2S.
What is the molecular weight of Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate?
The molecular weight of Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate is 381.01 g/mol.
Where can I buy Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate?
You can request a quote for Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.