6-bromoindigo
TL;DR: 6-bromoindigo (CAS 127718-43-8) is a chemical compound with molecular formula C25H24Cl2N6O2 and molecular weight 510.1338 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(4-chlorophenyl)-5-(2-hydroxyphenyl)tetrazol-3-ium-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone chloride
Also Known As: 6-bromoindigo, 2H-Tetrazolium, 3-(4-chlorophenyl)-5-(2-hydroxyphenyl)-2-((4-phenyl-1-piperazinyl)acetyl)-, chloride, (6Z)-6-[3-(4-chlorophenyl)-2-[2-(4-phenylpiperazin-1-yl)acetyl]-1H-tetrazol-3-ium-5-ylidene]cyclohexa-2,4-dien-1-one chloride, 6-[2-(4-chlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)acetyl]tetrazolidin-4-ium-5-ylidene]cyclohexa-2,4-dien-1-one,chloride
Technical Specifications
| Molecular Formula | C25H24Cl2N6O2 |
| Molecular Weight | 510.1338 g/mol |
| XLogP | 0.0472 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.1338 Da |
| Heavy Atoms | 35 |
| Complexity | 664.0 |
| SMILES | C1CN(CCN1CC(=O)N2N=C(N=[N+]2C3=CC=C(C=C3)Cl)C4=CC=CC=C4O)C5=CC=CC=C5.[Cl-] |
| InChIKey | XCJVEDAWPUDMLA-UHFFFAOYSA-N |
Chemical Property Profile of 6-bromoindigo
Property Insights of 6-bromoindigo
The XLogP value of 0.0472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-bromoindigo. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-bromoindigo. Following Lipinski's Rule of Five, 6-bromoindigo has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6-bromoindigo?
The CAS number of 6-bromoindigo is 127718-43-8.
What is the molecular formula of 6-bromoindigo?
The molecular formula of 6-bromoindigo is C25H24Cl2N6O2.
What is the molecular weight of 6-bromoindigo?
The molecular weight of 6-bromoindigo is 510.1338 g/mol.
Where can I buy 6-bromoindigo?
You can request a quote for 6-bromoindigo directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-bromoindigo?
Yes, CoreyChem provides custom synthesis services for 6-bromoindigo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.