C31H21BrClN3O
TL;DR: C31H21BrClN3O (CAS 81958-19-2) is a chemical compound with molecular formula C31H21BrClN3O and molecular weight 565.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-[(E)-2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethenyl]-3-(4-methylphenyl)quinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 6-bromo-2-(2-(2-(4-chlorophenyl)-1H-indol-3-yl)ethenyl)-3-4-methylphenyl)-, 6-bromo-2-[(E)-2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethenyl]-3-(4-methylphenyl)quinazolin-4-one, RefChem:1069175
| Molecular Formula | C31H21BrClN3O |
|---|---|
| Molecular Weight | 565.06 g/mol |
| LogP | 8.42872 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 565.05566 |
| Heavy Atoms | 37 |
| Complexity | 1866.6674 |
Chemical Identifiers
| CAS Number | 81958-19-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)/C=C/C4=C(NC5=CC=CC=C54)C6=CC=C(C=C6)Cl |
Product Overview
C31H21BrClN3O (CAS 81958-19-2), with molecular formula C31H21BrClN3O and molecular weight 565.06 g/mol. IUPAC: 6-bromo-2-[(E)-2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethenyl]-3-(4-methylphenyl)quinazolin-4-one.
Chemical Property Profile of C31H21BrClN3O
Property Insights of C31H21BrClN3O
The XLogP value of 8.42872 indicates that C31H21BrClN3O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.68 Ų, C31H21BrClN3O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C31H21BrClN3O has 1 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 C31H21BrClN3O?
The CAS number of C31H21BrClN3O is 81958-19-2.
What is the molecular formula of C31H21BrClN3O?
The molecular formula of C31H21BrClN3O is C31H21BrClN3O.
What is the molecular weight of C31H21BrClN3O?
The molecular weight of C31H21BrClN3O is 565.06 g/mol.
Where can I buy C31H21BrClN3O?
You can request a quote for C31H21BrClN3O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H21BrClN3O?
Yes, KEHONG BIO provides custom synthesis services for C31H21BrClN3O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.