![ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate structure](/static/products/799/799776-18-4.png)
ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate
TL;DR: ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate (CAS 799776-18-4) is a chemical compound with molecular formula C21H17ClN4O3S and molecular weight 440.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-13-(2-chlorophenyl)-5-cyano-6-methyl-11-oxo-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-12-carboxylate
Also Known As: ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate, ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-7-hydroxy-4-methyl-8,9-dihydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate
| Molecular Formula | C21H17ClN4O3S |
|---|---|
| Molecular Weight | 440.07 g/mol |
| LogP | 3.9753 |
| Topological Polar Surface Area | 118.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.07098 |
| Heavy Atoms | 30 |
| Complexity | 1247.2578 |
Chemical Identifiers
| CAS Number | 799776-18-4 |
|---|---|
| SMILES | CCOC(=O)C1C(C2=C(NC1=O)SC3=C2N=C(C(=C3C)C#N)N)C4=CC=CC=C4Cl |
Product Overview
ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate (CAS 799776-18-4), with molecular formula C21H17ClN4O3S and molecular weight 440.07 g/mol. IUPAC: ethyl 4-amino-13-(2-chlorophenyl)-5-cyano-6-methyl-11-oxo-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-12-carboxylate.
Chemical Property Profile of ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate
Property Insights of ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate
The XLogP value of 3.9753 indicates that ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate. Following Lipinski's Rule of Five, ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate has 2 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 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate?
The CAS number of ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate is 799776-18-4.
What is the molecular formula of ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate?
The molecular formula of ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate is C21H17ClN4O3S.
What is the molecular weight of ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate?
The molecular weight of ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate is 440.07 g/mol.
Where can I buy ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate?
You can request a quote for ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.