3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile
TL;DR: 3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile (CAS 896092-39-0) is a chemical compound with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-8-(furan-2-yl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: 3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile, 3-(4-ethoxyphenyl)-8-(furan-2-yl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(4-ethoxyphenyl)-8-(furan-2-yl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(4-ethoxyphenyl)-8-(2-furanyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(4-ethoxyphenyl)-8-(furan-2-yl)-6-oxidanylidene-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
| Molecular Formula | C20H19N3O3S |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 3.89778 |
| Topological Polar Surface Area | 69.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.11472 |
| Heavy Atoms | 27 |
| Complexity | 899.5532 |
Chemical Identifiers
| CAS Number | 896092-39-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=CO4 |
Product Overview
3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile (CAS 896092-39-0), with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol. IUPAC: 3-(4-ethoxyphenyl)-8-(furan-2-yl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
Chemical Property Profile of 3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile
Property Insights of 3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile
The XLogP value of 3.89778 indicates that 3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile. Following Lipinski's Rule of Five, 3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile has 0 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-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile?
The CAS number of 3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile is 896092-39-0.
What is the molecular formula of 3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile?
The molecular formula of 3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile is C20H19N3O3S.
What is the molecular weight of 3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile?
The molecular weight of 3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile is 381.11 g/mol.
Where can I buy 3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile?
You can request a quote for 3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tetrahydro-2H,5H-1-thia-3,4a-diaza-naphthalene-8-carb onitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.