![methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate structure](/static/products/879/879580-82-2.png)
methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate
TL;DR: methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate (CAS 879580-82-2) is a chemical compound with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-(2,4-dioxo-1H-quinazolin-3-yl)hexanoylamino]benzoate
Also Known As: methyl 2-(6-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamido)benzoate, methyl 2-[6-(2,4-dioxo-1H-quinazolin-3-yl)hexanoylamino]benzoate, methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate
| Molecular Formula | C22H23N3O5 |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 2.6755 |
| Topological Polar Surface Area | 110.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.16376 |
| Heavy Atoms | 30 |
| Complexity | 1179.0968 |
Chemical Identifiers
| CAS Number | 879580-82-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=O |
Product Overview
methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate (CAS 879580-82-2), with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol. IUPAC: methyl 2-[6-(2,4-dioxo-1H-quinazolin-3-yl)hexanoylamino]benzoate.
Chemical Property Profile of methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate
Property Insights of methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate
The XLogP value of 2.6755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate. The TPSA of 110.26 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate has 2 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 methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate?
The CAS number of methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate is 879580-82-2.
What is the molecular formula of methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate?
The molecular formula of methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate is C22H23N3O5.
What is the molecular weight of methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate?
The molecular weight of methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate is 409.16 g/mol.
Where can I buy methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate?
You can request a quote for methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.