diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate
TL;DR: diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate (CAS 77151-42-9) is a chemical compound with molecular formula C18H17ClN2O5 and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate
Also Known As: diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate
| Molecular Formula | C18H17ClN2O5 |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 2.52798 |
| Topological Polar Surface Area | 111.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.0826 |
| Heavy Atoms | 26 |
| Complexity | 838.22833 |
Chemical Identifiers
| CAS Number | 77151-42-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2Cl)C#N)N)C(=O)OCC |
Product Overview
diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate (CAS 77151-42-9), with molecular formula C18H17ClN2O5 and molecular weight 376.08 g/mol. IUPAC: diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate.
Chemical Property Profile of diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate
Property Insights of diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate
The XLogP value of 2.52798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate. The TPSA of 111.64 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate. Following Lipinski's Rule of Five, diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate 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 diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate?
The CAS number of diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate is 77151-42-9.
What is the molecular formula of diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate?
The molecular formula of diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate is C18H17ClN2O5.
What is the molecular weight of diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate?
The molecular weight of diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate is 376.08 g/mol.
Where can I buy diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate?
You can request a quote for diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 6-amino-4-(2-chlorophenyl)-5-cyano-4H-pyran-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.