ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate (CAS 340808-52-8) is a chemical compound with molecular formula C16H15ClN2O3 and molecular weight 318.08 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-phenyl-4H-pyran-3-carboxylate
Also Known As: Protopanaxtriol, ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate, ethyl6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate, 6-amino-2-chloromethyl-5-cyano-4-phenyl-4 h-pyran-3-carboxylic acid ethyl ester, 6-Amino-2-chloromethyl-5-cyano-4-phenyl-4H-pyran-3-carboxylic acid ethyl ester
| Molecular Formula | C16H15ClN2O3 |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 2.55028 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.07712 |
| Heavy Atoms | 22 |
| Complexity | 674.38135 |
Chemical Identifiers
| CAS Number | 340808-52-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)CCl |
Product Overview
ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate (CAS 340808-52-8), with molecular formula C16H15ClN2O3 and molecular weight 318.08 g/mol. IUPAC: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate
The XLogP value of 2.55028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate has 1 hydrogen bond donor(s) and 5 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-phenyl-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate is 340808-52-8.
What is the molecular formula of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate is C16H15ClN2O3.
What is the molecular weight of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate is 318.08 g/mol.
Where can I buy ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-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-phenyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.