ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate (CAS 370573-17-4) is a chemical compound with molecular formula C18H19ClN2O5 and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate
Also Known As: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-4-(2,3-dimethoxyphenyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carb oxylate
| Molecular Formula | C18H19ClN2O5 |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 2.56748 |
| Topological Polar Surface Area | 103.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.09824 |
| Heavy Atoms | 26 |
| Complexity | 810.28973 |
Chemical Identifiers
| CAS Number | 370573-17-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=C(C(=CC=C2)OC)OC)C#N)N)CCl |
Product Overview
ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate (CAS 370573-17-4), with molecular formula C18H19ClN2O5 and molecular weight 378.10 g/mol. IUPAC: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate
The XLogP value of 2.56748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate. The TPSA of 103.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate has 1 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 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate is 370573-17-4.
What is the molecular formula of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate is C18H19ClN2O5.
What is the molecular weight of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate is 378.10 g/mol.
Where can I buy ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(2,3-dimethoxyphenyl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.