1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone
TL;DR: 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone (CAS 28198-04-1) is a chemical compound with molecular formula C36H36Br2N2O2 and molecular weight 686.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(2-bromo-4-butyl-6-methylanilino)anthracene-9,10-dione
Also Known As: 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone, 1,4-bis(2-bromo-4-butyl-6-methylanilino)anthracene-9,10-dione, 1,4-bis-(2-Bromo-4-butyl-o-toluidino)anthraquinone, 1,4-Bis(2-bromo-4-butyl-6-methylanilino)anthraquinone, Anthraquinone, 1,4-bis(2-bromo-4-butyl-o-toluidino)-
| Molecular Formula | C36H36Br2N2O2 |
|---|---|
| Molecular Weight | 686.11 g/mol |
| LogP | 12.9 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 688.1123 |
| Heavy Atoms | 42 |
| Complexity | 843.0 |
Chemical Identifiers
| CAS Number | 28198-04-1 |
|---|---|
| SMILES | CCCCC1=CC(=C(C(=C1)C)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4C)CCCC)Br)C(=O)C5=CC=CC=C5C3=O)Br |
| InChIKey | LKKDBUMXNDIRMM-UHFFFAOYSA-N |
Product Overview
1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone (CAS 28198-04-1), with molecular formula C36H36Br2N2O2 and molecular weight 686.11 g/mol. IUPAC: 1,4-bis(2-bromo-4-butyl-6-methylanilino)anthracene-9,10-dione.
Chemical Property Profile of 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone
Property Insights of 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone
The XLogP value of 12.9 indicates that 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone has 2 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 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone?
The CAS number of 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone is 28198-04-1.
What is the molecular formula of 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone?
The molecular formula of 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone is C36H36Br2N2O2.
What is the molecular weight of 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone?
The molecular weight of 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone is 686.11 g/mol.
Where can I buy 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone?
You can request a quote for 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.