3-(4-Bromophenacylidene)-1-methyl-2-indolinone
TL;DR: 3-(4-Bromophenacylidene)-1-methyl-2-indolinone (CAS 846-98-0) is a chemical compound with molecular formula C17H12BrNO2 and molecular weight 341.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-[2-(4-bromophenyl)-2-oxoethylidene]-1-methylindol-2-one
Also Known As: 3-(4-Bromophenacylidene)-1-methyl-2-indolinone, J1.401.802F, 1-Methyl-3-(4-bromophenacylidene)indoline-2-one, AA-516/25012004, (3Z)-3-[2-(4-bromophenyl)-2-oxoethylidene]-1-methylindol-2-one
| Molecular Formula | C17H12BrNO2 |
|---|---|
| Molecular Weight | 341.01 g/mol |
| LogP | 3.6918 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.00513 |
| Heavy Atoms | 21 |
| Complexity | 762.6145 |
Chemical Identifiers
| CAS Number | 846-98-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2/C(=C/C(=O)C3=CC=C(C=C3)Br)/C1=O |
Product Overview
3-(4-Bromophenacylidene)-1-methyl-2-indolinone (CAS 846-98-0), with molecular formula C17H12BrNO2 and molecular weight 341.01 g/mol. IUPAC: (3Z)-3-[2-(4-bromophenyl)-2-oxoethylidene]-1-methylindol-2-one.
Chemical Property Profile of 3-(4-Bromophenacylidene)-1-methyl-2-indolinone
Property Insights of 3-(4-Bromophenacylidene)-1-methyl-2-indolinone
The XLogP value of 3.6918 indicates that 3-(4-Bromophenacylidene)-1-methyl-2-indolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 3-(4-Bromophenacylidene)-1-methyl-2-indolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromophenacylidene)-1-methyl-2-indolinone has 0 hydrogen bond donor(s) and 2 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 3-(4-Bromophenacylidene)-1-methyl-2-indolinone?
The CAS number of 3-(4-Bromophenacylidene)-1-methyl-2-indolinone is 846-98-0.
What is the molecular formula of 3-(4-Bromophenacylidene)-1-methyl-2-indolinone?
The molecular formula of 3-(4-Bromophenacylidene)-1-methyl-2-indolinone is C17H12BrNO2.
What is the molecular weight of 3-(4-Bromophenacylidene)-1-methyl-2-indolinone?
The molecular weight of 3-(4-Bromophenacylidene)-1-methyl-2-indolinone is 341.01 g/mol.
Where can I buy 3-(4-Bromophenacylidene)-1-methyl-2-indolinone?
You can request a quote for 3-(4-Bromophenacylidene)-1-methyl-2-indolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromophenacylidene)-1-methyl-2-indolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenacylidene)-1-methyl-2-indolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.