![3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile structure](/static/products/896/896091-83-1.png)
3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
TL;DR: 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CAS 896091-83-1) is a chemical compound with molecular formula C24H25N3O4S and molecular weight 451.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(2-methylphenyl)-6-oxidanylidene-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(2-METHYLPHENYL)-6-OXO-8-(2,4,5-TRIMETHOXYPHENYL)-2H,3H,4H,6H,7H,8H-PYRIDO[2,1-B][1,3,5]THIADIAZINE-9-CARBONITRILE, 6-oxo-3-(o-tolyl)-8-(2,4,5-trimethoxyphenyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
| Molecular Formula | C24H25N3O4S |
|---|---|
| Molecular Weight | 451.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.1566 |
| Heavy Atoms | 32 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 896091-83-1 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=C(C=C4OC)OC)OC |
| InChIKey | INDVQINXTVBZRB-UHFFFAOYSA-N |
Product Overview
3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CAS 896091-83-1), with molecular formula C24H25N3O4S and molecular weight 451.16 g/mol. IUPAC: 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
Chemical Property Profile of 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Property Insights of 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
The XLogP value of 3.8 indicates that 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-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 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile. Following Lipinski's Rule of Five, 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile has 0 hydrogen bond donor(s) and 7 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-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The CAS number of 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is 896091-83-1.
What is the molecular formula of 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The molecular formula of 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is C24H25N3O4S.
What is the molecular weight of 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The molecular weight of 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is 451.16 g/mol.
Where can I buy 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
You can request a quote for 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-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 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-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.