![methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate structure](/static/products/831/831228-88-7.png)
methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate
TL;DR: methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate (CAS 831228-88-7) is a chemical compound with molecular formula C19H17N3O4 and molecular weight 351.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(4-oxoquinazolin-3-yl)propanoylamino]benzoate
Also Known As: BAS 10129031, methyl 4-(3-(4-oxoquinazolin-3(4H)-yl)propanamido)benzoate, methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate, methyl 4-[3-(4-oxoquinazolin-3-yl)propanoylamino]benzoate, 4-[3-(4-Oxo-4H-quinazolin-3-yl)-propionylamino]-benzoic acid methyl ester
| Molecular Formula | C19H17N3O4 |
|---|---|
| Molecular Weight | 351.12 g/mol |
| LogP | 2.2119 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.12192 |
| Heavy Atoms | 26 |
| Complexity | 1009.218 |
Chemical Identifiers
| CAS Number | 831228-88-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=CC=CC=C3C2=O |
Product Overview
methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate (CAS 831228-88-7), with molecular formula C19H17N3O4 and molecular weight 351.12 g/mol. IUPAC: methyl 4-[3-(4-oxoquinazolin-3-yl)propanoylamino]benzoate.
Chemical Property Profile of methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate
Property Insights of methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate
The XLogP value of 2.2119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate has 1 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 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate?
The CAS number of methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate is 831228-88-7.
What is the molecular formula of methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate?
The molecular formula of methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate is C19H17N3O4.
What is the molecular weight of methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate?
The molecular weight of methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate is 351.12 g/mol.
Where can I buy methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate?
You can request a quote for methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]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 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[3-(4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.