benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate
TL;DR: benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate (CAS 85612-31-3) is a chemical compound with molecular formula C26H21N3O3 and molecular weight 423.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate
Also Known As: 3,6,9-Nonadecatrien-1-ol,(Z,Z,Z), benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate, Benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3(4H)-yl)propanoate
| Molecular Formula | C26H21N3O3 |
|---|---|
| Molecular Weight | 423.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.1583 |
| Heavy Atoms | 32 |
| Complexity | 704.0 |
Chemical Identifiers
| CAS Number | 85612-31-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)N4C=NC5=CC=CC=C5C4=O |
| InChIKey | WJAHYUYCGOGPKO-UHFFFAOYSA-N |
Product Overview
benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate (CAS 85612-31-3), with molecular formula C26H21N3O3 and molecular weight 423.16 g/mol. IUPAC: benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate.
Chemical Property Profile of benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate
Property Insights of benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate
The XLogP value of 4.4 indicates that benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate. Following Lipinski's Rule of Five, benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-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 benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate?
The CAS number of benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate is 85612-31-3.
What is the molecular formula of benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate?
The molecular formula of benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate is C26H21N3O3.
What is the molecular weight of benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate?
The molecular weight of benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate is 423.16 g/mol.
Where can I buy benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate?
You can request a quote for benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-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 benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 3-(1H-indol-3-yl)-2-(4-oxoquinazolin-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.