Ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate
TL;DR: Ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate (CAS 316360-32-4) is a chemical compound with molecular formula C14H17N3O2S and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate
Also Known As: Ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate, ethyl 3-cyano-6-ethyl-2-thioxo-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-4-carboxylate, ethyl 3-cyano-6-ethyl-2-thioxo-1,2,5,6,7,8-hexahydro[1,6]naphthyridine-4-carboxylate
| Molecular Formula | C14H17N3O2S |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 2.17057 |
| Topological Polar Surface Area | 69.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.10416 |
| Heavy Atoms | 20 |
| Complexity | 630.5318 |
Chemical Identifiers
| CAS Number | 316360-32-4 |
|---|---|
| SMILES | CCN1CCC2=C(C1)C(=C(C(=S)N2)C#N)C(=O)OCC |
Product Overview
Ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate (CAS 316360-32-4), with molecular formula C14H17N3O2S and molecular weight 291.10 g/mol. IUPAC: ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate.
Chemical Property Profile of Ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate
Property Insights of Ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate
The XLogP value of 2.17057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate. The TPSA of 69.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate has 1 hydrogen bond donor(s) and 5 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-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate?
The CAS number of Ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate is 316360-32-4.
What is the molecular formula of Ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate?
The molecular formula of Ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate is C14H17N3O2S.
What is the molecular weight of Ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate?
The molecular weight of Ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate is 291.10 g/mol.
Where can I buy Ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate?
You can request a quote for Ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-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-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyano-6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.