(E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one
TL;DR: (E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one (CAS 861644-17-9) is a chemical compound with molecular formula C32H24ClN3O and molecular weight 501.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(1-benzyl-2-methylindol-3-yl)ethenyl]-3-(4-chlorophenyl)quinazolin-4-one
Also Known As: (E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one, 2-[(E)-2-(1-benzyl-2-methylindol-3-yl)ethenyl]-3-(4-chlorophenyl)quinazolin-4-one, 2-[2-(1-benzyl-2-methyl-indol-3-yl)ethenyl]-3-(4-chlorophenyl)quinazolin-4-one, 2-[(E)-2-(1-benzyl-2-methyl-1H-indol-3-yl)ethenyl]-3-(4-chlorophenyl)quinazolin-4(3H)-one
| Molecular Formula | C32H24ClN3O |
|---|---|
| Molecular Weight | 501.16 g/mol |
| LogP | 7.52092 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.1608 |
| Heavy Atoms | 37 |
| Complexity | 1830.7924 |
Chemical Identifiers
| CAS Number | 861644-17-9 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)/C=C/C4=NC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)Cl |
Product Overview
(E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one (CAS 861644-17-9), with molecular formula C32H24ClN3O and molecular weight 501.16 g/mol. IUPAC: 2-[(E)-2-(1-benzyl-2-methylindol-3-yl)ethenyl]-3-(4-chlorophenyl)quinazolin-4-one.
Chemical Property Profile of (E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one
Property Insights of (E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one
The XLogP value of 7.52092 indicates that (E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.82 Ų, (E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one?
The CAS number of (E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one is 861644-17-9.
What is the molecular formula of (E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one?
The molecular formula of (E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one is C32H24ClN3O.
What is the molecular weight of (E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one?
The molecular weight of (E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one is 501.16 g/mol.
Where can I buy (E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one?
You can request a quote for (E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(2-(1-benzyl-2-methyl-1H-indol-3-yl)vinyl)-3-(4-chlorophenyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.