methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate
TL;DR: methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate (CAS 84244-88-2) is a chemical compound with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate
Also Known As: trans-5,6-Dihydroquinoline-5,6-diol, methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate, Methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-1,4-dihydroquinazolin-3(2H)-yl)propanoate
| Molecular Formula | C21H21N3O3 |
|---|---|
| Molecular Weight | 363.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.1583 |
| Heavy Atoms | 27 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 84244-88-2 |
|---|---|
| SMILES | CN1CN(C(=O)C2=CC=CC=C21)C(CC3=CNC4=CC=CC=C43)C(=O)OC |
| InChIKey | MLDUMFCJSHTWCF-UHFFFAOYSA-N |
Product Overview
methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate (CAS 84244-88-2), with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol. IUPAC: methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate.
Chemical Property Profile of methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate
Property Insights of methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate
The XLogP value of 3.4 indicates that methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate. Following Lipinski's Rule of Five, methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate has 1 hydrogen bond donor(s) and 4 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 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate?
The CAS number of methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate is 84244-88-2.
What is the molecular formula of methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate?
The molecular formula of methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate is C21H21N3O3.
What is the molecular weight of methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate?
The molecular weight of methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate is 363.16 g/mol.
Where can I buy methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate?
You can request a quote for methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1H-indol-3-yl)-2-(1-methyl-4-oxo-2H-quinazolin-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.