![8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile structure](/static/products/896/896084-03-0.png)
8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
TL;DR: 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CAS 896084-03-0) 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.
8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 6-keto-8-(5-methyl-2-furyl)-3-(m-tolyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-(5-methyl-2-furanyl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxidanylidene-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
| Molecular Formula | C20H19N3O2S |
|---|---|
| Molecular Weight | 365.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.1198 |
| Heavy Atoms | 26 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 896084-03-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(O4)C |
| InChIKey | QYQBEBDQFITWNP-UHFFFAOYSA-N |
Product Overview
8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CAS 896084-03-0), with molecular formula C20H19N3O2S and molecular weight 365.12 g/mol. IUPAC: 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
Chemical Property Profile of 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Property Insights of 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
The XLogP value of 3.4 indicates that 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile. Following Lipinski's Rule of Five, 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[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 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The CAS number of 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is 896084-03-0.
What is the molecular formula of 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The molecular formula of 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is C20H19N3O2S.
What is the molecular weight of 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The molecular weight of 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is 365.12 g/mol.
Where can I buy 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
You can request a quote for 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[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 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 8-(5-methylfuran-2-yl)-3-(3-methylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.