![methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate structure](/static/products/339/339208-66-1.png)
methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate
TL;DR: methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate (CAS 339208-66-1) is a chemical compound with molecular formula C19H13N3O4 and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-amino-5-oxochromeno[4,3-d]pyrimidin-2-yl)benzoate
Also Known As: methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate, methyl 4-(4-amino-5-oxochromeno[4,3-d]pyrimidin-2-yl)benzoate
| Molecular Formula | C19H13N3O4 |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 2.772 |
| Topological Polar Surface Area | 108.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.0906 |
| Heavy Atoms | 26 |
| Complexity | 1213.3407 |
Chemical Identifiers
| CAS Number | 339208-66-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=NC3=C(C(=N2)N)C(=O)OC4=CC=CC=C43 |
Product Overview
methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate (CAS 339208-66-1), with molecular formula C19H13N3O4 and molecular weight 347.09 g/mol. IUPAC: methyl 4-(4-amino-5-oxochromeno[4,3-d]pyrimidin-2-yl)benzoate.
Chemical Property Profile of methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate
Property Insights of methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate
The XLogP value of 2.772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate. The TPSA of 108.31 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-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-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate?
The CAS number of methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate is 339208-66-1.
What is the molecular formula of methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate?
The molecular formula of methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate is C19H13N3O4.
What is the molecular weight of methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate?
The molecular weight of methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate is 347.09 g/mol.
Where can I buy methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate?
You can request a quote for methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-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-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-amino-5-oxo-5H-chromeno[4,3-d]pyrimidin-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.