![8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile structure](/static/products/896/896096-40-5.png)
8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
TL;DR: 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CAS 896096-40-5) is a chemical compound with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 4-(2,4-dimethoxyphenyl)-9-methyl-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile, 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-(2,4-DIMETHOXYPHENYL)-3-METHYL-6-OXO-2H,3H,4H,6H,7H,8H-PYRIDO[2,1-B][1,3,5]THIADIAZINE-9-CARBONITRILE
| Molecular Formula | C17H19N3O3S |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 2.34848 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.11472 |
| Heavy Atoms | 24 |
| Complexity | 741.0866 |
Chemical Identifiers
| CAS Number | 896096-40-5 |
|---|---|
| SMILES | CN1CN2C(=O)CC(C(=C2SC1)C#N)C3=C(C=C(C=C3)OC)OC |
Product Overview
8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CAS 896096-40-5), with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol. IUPAC: 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
Chemical Property Profile of 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Property Insights of 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
The XLogP value of 2.34848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile. Following Lipinski's Rule of Five, 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile 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 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The CAS number of 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is 896096-40-5.
What is the molecular formula of 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The molecular formula of 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is C17H19N3O3S.
What is the molecular weight of 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The molecular weight of 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is 345.11 g/mol.
Where can I buy 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
You can request a quote for 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[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-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 8-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.