2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one
TL;DR: 2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one (CAS 1023875-63-9) is a chemical compound with molecular formula C22H14BrNO3 and molecular weight 419.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one
Also Known As: 2-(1,3-benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one, 2-BENZO[D]1,3-DIOXOLEN-5-YL-3-((4-BROMOPHENYL)AMINO)INDEN-1-ONE, 2-benzo[1,3]dioxol-5-yl-3-[(4-bromophenyl)amino]inden-1-one, 2-(2H-1,3-benzodioxol-5-yl)-3-[(4-bromophenyl)amino]-1H-inden-1-one, C22H14BrNO3
| Molecular Formula | C22H14BrNO3 |
|---|---|
| Molecular Weight | 419.02 g/mol |
| LogP | 5.3545 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.01572 |
| Heavy Atoms | 27 |
| Complexity | 1102.7957 |
Chemical Identifiers
| CAS Number | 1023875-63-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=C(C4=CC=CC=C4C3=O)NC5=CC=C(C=C5)Br |
Product Overview
2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one (CAS 1023875-63-9), with molecular formula C22H14BrNO3 and molecular weight 419.02 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one
Property Insights of 2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one
The XLogP value of 5.3545 indicates that 2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, 2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one?
The CAS number of 2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one is 1023875-63-9.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one?
The molecular formula of 2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one is C22H14BrNO3.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one?
The molecular weight of 2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one is 419.02 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one?
You can request a quote for 2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-yl)-3-(4-bromoanilino)inden-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.