Vat Blue 2
TL;DR: Vat Blue 2 (CAS 29245-44-1) is a chemical compound with molecular formula C16H6Br2Cl2N2O2 and molecular weight 485.81732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-2-(5-bromo-4-chloro-3-hydroxy-1H-indol-2-yl)-4-chloroindol-3-one
Also Known As: Vat Blue 2, C.I.Vat Blue 2, starbld0001056, BASF Brilliant Indigo 4G-D, BASF Brilliant Indigo 4G-N
Technical Specifications
| Molecular Formula | C16H6Br2Cl2N2O2 |
| Molecular Weight | 485.81732 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 487.81525 Da |
| Heavy Atoms | 24 |
| Complexity | 578.0 |
| SMILES | C1=CC(=C(C2=C1NC(=C2O)C3=NC4=C(C3=O)C(=C(C=C4)Br)Cl)Cl)Br |
| InChIKey | DRLXAEQIVDKLNJ-UHFFFAOYSA-N |
Chemical Property Profile of Vat Blue 2
Property Insights of Vat Blue 2
The XLogP value of 5.4 indicates that Vat Blue 2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Vat Blue 2. Following Lipinski's Rule of Five, Vat Blue 2 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Vat Blue 2?
The CAS number of Vat Blue 2 is 29245-44-1.
What is the molecular formula of Vat Blue 2?
The molecular formula of Vat Blue 2 is C16H6Br2Cl2N2O2.
What is the molecular weight of Vat Blue 2?
The molecular weight of Vat Blue 2 is 485.81732 g/mol.
Where can I buy Vat Blue 2?
You can request a quote for Vat Blue 2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Vat Blue 2?
Yes, CoreyChem provides custom synthesis services for Vat Blue 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.