![ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-phenylthieno[2,3-b:4,5-b']dipyridine-8-carboxylate structure](/static/products/659/659720-29-3.png)
ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-phenylthieno[2,3-b:4,5-b']dipyridine-8-carboxylate
TL;DR: ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-phenylthieno[2,3-b:4,5-b']dipyridine-8-carboxylate (CAS 659720-29-3) is a chemical compound with molecular formula C27H19ClN4O2S and molecular weight 498.09 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-phenyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-12-carboxylate
Also Known As: ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-phenylthieno[2,3-b:4,5-b']dipyridine-8-carboxylate
| Molecular Formula | C27H19ClN4O2S |
|---|---|
| Molecular Weight | 498.09 g/mol |
| LogP | 6.7709 |
| Topological Polar Surface Area | 101.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.09174 |
| Heavy Atoms | 35 |
| Complexity | 1672.8036 |
Chemical Identifiers
| CAS Number | 659720-29-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2C(=C1C3=CC=CC=C3Cl)C4=C(S2)C(=C(C(=N4)N)C#N)C)C5=CC=CC=C5 |
Product Overview
ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-phenylthieno[2,3-b:4,5-b']dipyridine-8-carboxylate (CAS 659720-29-3), with molecular formula C27H19ClN4O2S and molecular weight 498.09 g/mol. IUPAC: ethyl 4-amino-13-(2-chlorophenyl)-5-cyano-6-methyl-11-phenyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-12-carboxylate.
Chemical Property Profile of ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-phenylthieno[2,3-b:4,5-b']dipyridine-8-carboxylate
Property Insights of ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-phenylthieno[2,3-b:4,5-b']dipyridine-8-carboxylate
The XLogP value of 6.7709 indicates that ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-phenylthieno[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 101.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-phenylthieno[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-phenylthieno[2,3-b:4,5-b']dipyridine-8-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-phenylthieno[2,3-b:4,5-b']dipyridine-8-carboxylate?
The CAS number of ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-phenylthieno[2,3-b:4,5-b']dipyridine-8-carboxylate is 659720-29-3.
What is the molecular formula of ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-phenylthieno[2,3-b:4,5-b']dipyridine-8-carboxylate?
The molecular formula of ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-phenylthieno[2,3-b:4,5-b']dipyridine-8-carboxylate is C27H19ClN4O2S.
What is the molecular weight of ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-phenylthieno[2,3-b:4,5-b']dipyridine-8-carboxylate?
The molecular weight of ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-phenylthieno[2,3-b:4,5-b']dipyridine-8-carboxylate is 498.09 g/mol.
Where can I buy ethyl 2-amino-9-(2-chlorophenyl)-3-cyano-4-methyl-7-phenylthieno[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-phenylthieno[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-phenylthieno[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-phenylthieno[2,3-b:4,5-b']dipyridine-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.