![methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate structure](/static/products/3545/354554-44-2.webp)
methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate
TL;DR: methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate (CAS 354554-44-2) is a chemical compound with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate
Also Known As: BAS 07417172, AM-807/13103076, methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate, methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-4-yl)benzoate, methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)benzoate
| Molecular Formula | C18H14N2O5 |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 1.953 |
| Topological Polar Surface Area | 115.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.09027 |
| Heavy Atoms | 25 |
| Complexity | 980.00653 |
Chemical Identifiers
| CAS Number | 354554-44-2 |
|---|---|
| SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)C(=O)OC)C(=O)O1 |
Product Overview
methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate (CAS 354554-44-2), with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol. IUPAC: methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate.
Chemical Property Profile of methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate
Property Insights of methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate
The XLogP value of 1.953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate. The TPSA of 115.55 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate 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 methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate?
The CAS number of methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate is 354554-44-2.
What is the molecular formula of methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate?
The molecular formula of methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate is C18H14N2O5.
What is the molecular weight of methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate?
The molecular weight of methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate is 338.09 g/mol.
Where can I buy methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate?
You can request a quote for methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.