![ethyl 4-[9-cyano-8-(4-methoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate structure](/static/products/896/896090-51-0.png)
ethyl 4-[9-cyano-8-(4-methoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
TL;DR: ethyl 4-[9-cyano-8-(4-methoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate (CAS 896090-51-0) is a chemical compound with molecular formula C24H23N3O4S and molecular weight 449.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[9-cyano-8-(4-methoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazin-3-yl]benzoate
Also Known As: ethyl 4-[9-cyano-8-(4-methoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate, ethyl 4-(9-cyano-8-(4-methoxyphenyl)-6-oxo-7,8-dihydropyrido[2,1-b][1,3,5]thiadiazin-3(2H,4H,6H)-yl)benzoate, Ethyl 4-[5-cyano-4-(4-methoxyphenyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-en-9-yl]benzoate, ethyl 4-[9-cyano-8-(4-methoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazin-3-yl]benzoate, ETHYL 4-[9-CYANO-8-(4-METHOXYPHENYL)-6-OXO-2H,3H,4H,6H,7H,8H-PYRIDO[2,1-B][1,3,5]THIADIAZIN-3-YL]BENZOATE
| Molecular Formula | C24H23N3O4S |
|---|---|
| Molecular Weight | 449.14 g/mol |
| LogP | 4.09138 |
| Topological Polar Surface Area | 82.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.14093 |
| Heavy Atoms | 32 |
| Complexity | 1089.7225 |
Chemical Identifiers
| CAS Number | 896090-51-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)OC |
Product Overview
ethyl 4-[9-cyano-8-(4-methoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate (CAS 896090-51-0), with molecular formula C24H23N3O4S and molecular weight 449.14 g/mol. IUPAC: ethyl 4-[9-cyano-8-(4-methoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazin-3-yl]benzoate.
Chemical Property Profile of ethyl 4-[9-cyano-8-(4-methoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
Property Insights of ethyl 4-[9-cyano-8-(4-methoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
The XLogP value of 4.09138 indicates that ethyl 4-[9-cyano-8-(4-methoxyphenyl)-6-oxo-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 82.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[9-cyano-8-(4-methoxyphenyl)-6-oxo-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-8-(4-methoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate 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 ethyl 4-[9-cyano-8-(4-methoxyphenyl)-6-oxo-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-8-(4-methoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate is 896090-51-0.
What is the molecular formula of ethyl 4-[9-cyano-8-(4-methoxyphenyl)-6-oxo-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-8-(4-methoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate is C24H23N3O4S.
What is the molecular weight of ethyl 4-[9-cyano-8-(4-methoxyphenyl)-6-oxo-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-8-(4-methoxyphenyl)-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate is 449.14 g/mol.
Where can I buy ethyl 4-[9-cyano-8-(4-methoxyphenyl)-6-oxo-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-8-(4-methoxyphenyl)-6-oxo-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-8-(4-methoxyphenyl)-6-oxo-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-8-(4-methoxyphenyl)-6-oxo-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.