3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate
TL;DR: 3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate (CAS 851175-99-0) is a chemical compound with molecular formula C11H10N2O5S and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-5-ethoxycarbonyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetic acid
Also Known As: 2-{[3-cyano-5-(ethoxycarbonyl)-6-oxo-1,6-dihydropyridin-2-yl]sulfanyl}acetic acid, 2-[(3-cyano-5-ethoxycarbonyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetic Acid, {[3-cyano-5-(ethoxycarbonyl)-6-oxo-1,6-dihydropyridin-2-yl]thio}acetic acid, 3-Ethyl 6-[(carboxymethyl)thio]-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate, {[3-cyano-5-(ethoxycarbonyl)-6-hydroxypyridin-2-yl]sulfanyl}acetic acid
| Molecular Formula | C11H10N2O5S |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | 0.59998 |
| Topological Polar Surface Area | 120.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.03104 |
| Heavy Atoms | 19 |
| Complexity | 602.0836 |
Chemical Identifiers
| CAS Number | 851175-99-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(NC1=O)SCC(=O)O)C#N |
Product Overview
3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate (CAS 851175-99-0), with molecular formula C11H10N2O5S and molecular weight 282.03 g/mol. IUPAC: 2-[(3-cyano-5-ethoxycarbonyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of 3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate
Property Insights of 3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate
The XLogP value of 0.59998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate. The TPSA of 120.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate. Following Lipinski's Rule of Five, 3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate has 2 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 3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate?
The CAS number of 3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate is 851175-99-0.
What is the molecular formula of 3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate?
The molecular formula of 3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate is C11H10N2O5S.
What is the molecular weight of 3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate?
The molecular weight of 3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate is 282.03 g/mol.
Where can I buy 3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate?
You can request a quote for 3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl 6-((carboxymethyl)thio)-5-cyano-1,2-dihydro-2-oxo-3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.