![3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile structure](/static/products/896/896089-63-7.png)
3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
TL;DR: 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CAS 896089-63-7) is a chemical compound with molecular formula C21H17ClFN3OS and molecular weight 413.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-BENZYL-8-(2-CHLORO-6-FLUOROPHENYL)-6-OXO-2H,3H,4H,6H,7H,8H-PYRIDO[2,1-B][1,3,5]THIADIAZINE-9-CARBONITRILE, 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 9-benzyl-4-(2-chloro-6-fluoro-phenyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile
| Molecular Formula | C21H17ClFN3OS |
|---|---|
| Molecular Weight | 413.08 g/mol |
| LogP | 4.69418 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.07648 |
| Heavy Atoms | 28 |
| Complexity | 968.6404 |
Chemical Identifiers
| CAS Number | 896089-63-7 |
|---|---|
| SMILES | C1C(C(=C2N(C1=O)CN(CS2)CC3=CC=CC=C3)C#N)C4=C(C=CC=C4Cl)F |
Product Overview
3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CAS 896089-63-7), with molecular formula C21H17ClFN3OS and molecular weight 413.08 g/mol. IUPAC: 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
Chemical Property Profile of 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Property Insights of 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
The XLogP value of 4.69418 indicates that 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.34 Ų, 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile has 0 hydrogen bond donor(s) and 4 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-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The CAS number of 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is 896089-63-7.
What is the molecular formula of 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The molecular formula of 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is C21H17ClFN3OS.
What is the molecular weight of 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The molecular weight of 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is 413.08 g/mol.
Where can I buy 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
You can request a quote for 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-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-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-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-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-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.