Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
TL;DR: Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate (CAS 339580-97-1) is a chemical compound with molecular formula C21H17ClN2O3 and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_010844, Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate, AB00079973-01, F1524-0352, A0511/0023677
| Molecular Formula | C21H17ClN2O3 |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.09277 |
| Heavy Atoms | 27 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 339580-97-1 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3 |
| InChIKey | ZGJZCMUIDDOXPT-UHFFFAOYSA-N |
Product Overview
Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate (CAS 339580-97-1), with molecular formula C21H17ClN2O3 and molecular weight 380.09 g/mol. IUPAC: benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate.
Chemical Property Profile of Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Property Insights of Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
The XLogP value of 4.2 indicates that Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-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 Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The CAS number of Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate is 339580-97-1.
What is the molecular formula of Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The molecular formula of Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate is C21H17ClN2O3.
What is the molecular weight of Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The molecular weight of Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate is 380.09 g/mol.
Where can I buy Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate?
You can request a quote for Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-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 Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.