ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate
TL;DR: ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate (CAS 327170-86-5) is a chemical compound with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-cyano-6-methyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-3-oxobutanoate
Also Known As: ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate, ethyl 4-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]-3-oxobutanoate, ethyl 4-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro[1,6]naphthyridin-2-yl)sulfanyl]-3-oxobutanoate, Ethyl 4-[(3-cyano-6-methyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-3-oxo-butanoate, ethyl 4-[(3-cyano-6-methyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-3-oxobutanoate
| Molecular Formula | C22H23N3O3S |
|---|---|
| Molecular Weight | 409.15 g/mol |
| LogP | 3.22258 |
| Topological Polar Surface Area | 83.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.14603 |
| Heavy Atoms | 29 |
| Complexity | 954.01025 |
Chemical Identifiers
| CAS Number | 327170-86-5 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NC2=C(CN(CC2)C)C(=C1C#N)C3=CC=CC=C3 |
Product Overview
ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate (CAS 327170-86-5), with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol. IUPAC: ethyl 4-[(3-cyano-6-methyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-3-oxobutanoate.
Chemical Property Profile of ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate
Property Insights of ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate
The XLogP value of 3.22258 indicates that ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate. Following Lipinski's Rule of Five, ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate has 0 hydrogen bond donor(s) and 7 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 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate?
The CAS number of ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate is 327170-86-5.
What is the molecular formula of ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate?
The molecular formula of ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate is C22H23N3O3S.
What is the molecular weight of ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate?
The molecular weight of ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate is 409.15 g/mol.
Where can I buy ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate?
You can request a quote for ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.