benzyl 6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate
TL;DR: benzyl 6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate (CAS 354554-26-0) is a chemical compound with molecular formula C19H16N2O4 and molecular weight 336.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate
Also Known As: BAS 07417449, benzyl 6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate, AM-807/13103044, 6-Amino-5-cyano-4-furan-3-yl-2-methyl-4H-pyran-3-carboxylic acid benzyl ester, benzyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate
| Molecular Formula | C19H16N2O4 |
|---|---|
| Molecular Weight | 336.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.111 |
| Heavy Atoms | 25 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 354554-26-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=COC=C2)C(=O)OCC3=CC=CC=C3 |
| InChIKey | VMZQTAYAGNYZQQ-UHFFFAOYSA-N |
Product Overview
benzyl 6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate (CAS 354554-26-0), with molecular formula C19H16N2O4 and molecular weight 336.11 g/mol. IUPAC: benzyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate.
Chemical Property Profile of benzyl 6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate
Property Insights of benzyl 6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl 6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, benzyl 6-amino-5-cyano-4-(3-furyl)-2-methyl-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 benzyl 6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate?
The CAS number of benzyl 6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate is 354554-26-0.
What is the molecular formula of benzyl 6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate?
The molecular formula of benzyl 6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate is C19H16N2O4.
What is the molecular weight of benzyl 6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate?
The molecular weight of benzyl 6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate is 336.11 g/mol.
Where can I buy benzyl 6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate?
You can request a quote for benzyl 6-amino-5-cyano-4-(3-furyl)-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-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.