ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate (CAS 313379-39-4) is a chemical compound with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-thiophen-3-yl-4H-pyran-3-carboxylate
Also Known As: ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate, BAS 07416660, AB00095022-01, ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(3-thienyl)-4H-pyran-3-carboxylate, A1680/0071691
| Molecular Formula | C17H18N2O5S |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 2.32618 |
| Topological Polar Surface Area | 111.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.09363 |
| Heavy Atoms | 25 |
| Complexity | 758.5012 |
Chemical Identifiers
| CAS Number | 313379-39-4 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CSC=C2)C(=O)OCC |
Product Overview
ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate (CAS 313379-39-4), with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-thiophen-3-yl-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate
The XLogP value of 2.32618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate. The TPSA of 111.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate has 1 hydrogen bond donor(s) and 8 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-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate is 313379-39-4.
What is the molecular formula of ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate is C17H18N2O5S.
What is the molecular weight of ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate is 362.09 g/mol.
Where can I buy ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-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-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.