![ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate structure](/static/products/896/896095-16-2.png)
ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate
TL;DR: ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate (CAS 896095-16-2) is a chemical compound with molecular formula C23H21N3O3S and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(9-cyano-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazin-3-yl)benzoate
Also Known As: ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate, ethyl 4-(9-cyano-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazin-3-yl)benzoate, ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydropyrido[2,1-b][1,3,5]thiadiazin-3(2H,4H,6H)-yl)benzoate, ETHYL 4-{9-CYANO-6-OXO-8-PHENYL-2H,3H,4H,6H,7H,8H-PYRIDO[2,1-B][1,3,5]THIADIAZIN-3-YL}BENZOATE
| Molecular Formula | C23H21N3O3S |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 4.08278 |
| Topological Polar Surface Area | 73.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.13037 |
| Heavy Atoms | 30 |
| Complexity | 1027.9089 |
Chemical Identifiers
| CAS Number | 896095-16-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=CC=C4 |
Product Overview
ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate (CAS 896095-16-2), with molecular formula C23H21N3O3S and molecular weight 419.13 g/mol. IUPAC: ethyl 4-(9-cyano-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazin-3-yl)benzoate.
Chemical Property Profile of ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate
Property Insights of ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate
The XLogP value of 4.08278 indicates that ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate 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 ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate?
The CAS number of ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate is 896095-16-2.
What is the molecular formula of ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate?
The molecular formula of ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate is C23H21N3O3S.
What is the molecular weight of ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate?
The molecular weight of ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate is 419.13 g/mol.
Where can I buy ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate?
You can request a quote for ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(9-cyano-6-oxo-8-phenyl-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.