Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate
TL;DR: Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate (CAS 340812-01-3) is a chemical compound with molecular formula C23H21ClN2O4 and molecular weight 424.12 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-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate
Also Known As: Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(phenylmethoxy)phenyl]-4H-pyran-3- carboxylate, ethyl 6-amino-4-(4-(benzyloxy)phenyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate, ethyl 6-amino-4-[4-(benzyloxy)phenyl]-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
| Molecular Formula | C23H21ClN2O4 |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 4.12928 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.119 |
| Heavy Atoms | 30 |
| Complexity | 1007.74866 |
Chemical Identifiers
| CAS Number | 340812-01-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N)N)CCl |
Product Overview
Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate (CAS 340812-01-3), with molecular formula C23H21ClN2O4 and molecular weight 424.12 g/mol. IUPAC: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate
Property Insights of Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate
The XLogP value of 4.12928 indicates that Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate has 1 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 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate?
The CAS number of Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate is 340812-01-3.
What is the molecular formula of Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate?
The molecular formula of Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate is C23H21ClN2O4.
What is the molecular weight of Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate?
The molecular weight of Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate is 424.12 g/mol.
Where can I buy Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate?
You can request a quote for Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-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-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-phenylmethoxyphenyl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.