![3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile structure](/static/products/896/896089-43-3.png)
3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
TL;DR: 3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CAS 896089-43-3) is a chemical compound with molecular formula C20H19N3O2S and molecular weight 365.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-ylmethyl)-8-(4-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: 3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(furan-2-ylmethyl)-8-(4-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(furan-2-ylmethyl)-8-(4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-[(FURAN-2-YL)METHYL]-8-(4-METHYLPHENYL)-6-OXO-2H,3H,4H,6H,7H,8H-PYRIDO[2,1-B][1,3,5]THIADIAZINE-9-CARBONITRILE
| Molecular Formula | C20H19N3O2S |
|---|---|
| Molecular Weight | 365.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.1198 |
| Heavy Atoms | 26 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 896089-43-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=O)N3CN(CSC3=C2C#N)CC4=CC=CO4 |
| InChIKey | JLBLZNGEXKXTTM-UHFFFAOYSA-N |
Product Overview
3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CAS 896089-43-3), with molecular formula C20H19N3O2S and molecular weight 365.12 g/mol. IUPAC: 3-(furan-2-ylmethyl)-8-(4-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
Chemical Property Profile of 3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Property Insights of 3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile. Following Lipinski's Rule of Five, 3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile has 0 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 3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The CAS number of 3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is 896089-43-3.
What is the molecular formula of 3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The molecular formula of 3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is C20H19N3O2S.
What is the molecular weight of 3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The molecular weight of 3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is 365.12 g/mol.
Where can I buy 3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
You can request a quote for 3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(furan-2-ylmethyl)-6-oxo-8-(p-tolyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.