methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate
TL;DR: methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate (CAS 354554-77-1) is a chemical compound with molecular formula C18H14N2O4 and molecular weight 322.10 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-hydroxy-4H-chromen-4-yl)benzoate
Also Known As: methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate, BAS 07417133, J2.655.800J, 4-(2-Amino-3-cyano-7-hydroxy-4H-chromen-4-yl)-benzoic acid methyl ester, Methyl 4-(2-amino-3-cyano-7-hydroxy-4H-1-benzopyran-4-yl)benzoate
| Molecular Formula | C18H14N2O4 |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 2.39698 |
| Topological Polar Surface Area | 105.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.09537 |
| Heavy Atoms | 24 |
| Complexity | 878.882 |
Chemical Identifiers
| CAS Number | 354554-77-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N |
Product Overview
methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate (CAS 354554-77-1), with molecular formula C18H14N2O4 and molecular weight 322.10 g/mol. IUPAC: methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate.
Chemical Property Profile of methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate
Property Insights of methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate
The XLogP value of 2.39698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate. The TPSA of 105.57 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate has 2 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 methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate?
The CAS number of methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate is 354554-77-1.
What is the molecular formula of methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate?
The molecular formula of methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate is C18H14N2O4.
What is the molecular weight of methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate?
The molecular weight of methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate is 322.10 g/mol.
Where can I buy methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate?
You can request a quote for methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-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-hydroxy-4H-chromen-4-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.