2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate
TL;DR: 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate (CAS 799806-80-7) is a chemical compound with molecular formula C24H23N3O6S and molecular weight 481.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate
Also Known As: 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate, 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methylpyridine-3-carboxylate, 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate
| Molecular Formula | C24H23N3O6S |
|---|---|
| Molecular Weight | 481.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 481.13077 |
| Heavy Atoms | 34 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 799806-80-7 |
|---|---|
| SMILES | CC1=C(C(=C(C(=N1)SCC(=O)NC2=CC=C(C=C2)OC)C#N)C3=CC=CO3)C(=O)OCCOC |
| InChIKey | WLGRQAAPNVUKTM-UHFFFAOYSA-N |
Product Overview
2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate (CAS 799806-80-7), with molecular formula C24H23N3O6S and molecular weight 481.13 g/mol. IUPAC: 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate.
Chemical Property Profile of 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate
Property Insights of 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate
The XLogP value of 3.1 indicates that 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate has 1 hydrogen bond donor(s) and 9 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 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate?
The CAS number of 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate is 799806-80-7.
What is the molecular formula of 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate?
The molecular formula of 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate is C24H23N3O6S.
What is the molecular weight of 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate?
The molecular weight of 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate is 481.13 g/mol.
Where can I buy 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate?
You can request a quote for 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxyethyl 5-cyano-4-(furan-2-yl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.