Ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate
TL;DR: Ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate (CAS 6926-95-0) is a chemical compound with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate
Also Known As: Ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate, Ethyl 3-cyano-6-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate
| Molecular Formula | C21H21N3O3S |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 3.09288 |
| Topological Polar Surface Area | 83.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.13037 |
| Heavy Atoms | 28 |
| Complexity | 938.1474 |
Chemical Identifiers
| CAS Number | 6926-95-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NC2=C1CN(CC2)C)SCC(=O)C3=CC=CC=C3)C#N |
Product Overview
Ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate (CAS 6926-95-0), with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol. IUPAC: ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate.
Chemical Property Profile of Ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate
Property Insights of Ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate
The XLogP value of 3.09288 indicates that Ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate 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 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate 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 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate?
The CAS number of Ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate is 6926-95-0.
What is the molecular formula of Ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate?
The molecular formula of Ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate is C21H21N3O3S.
What is the molecular weight of Ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate?
The molecular weight of Ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate is 395.13 g/mol.
Where can I buy Ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate?
You can request a quote for Ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyano-6-methyl-2-phenacylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.