Soluble vat Blue 2B
TL;DR: Soluble vat Blue 2B (CAS 2702-33-2) is a chemical compound with molecular formula C16H6Br4N2Na2O8S2 and molecular weight 779.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;[5,7-dibromo-2-(5,7-dibromo-3-sulfonatooxy-1H-indol-2-yl)-1H-indol-3-yl] sulfate
Also Known As: Soluble vat Blue 2B, INDIGOSOL O 4B, C.I. SOLUBILIZED VAT BLUE 5, CI SOLUBILISED VAT BLUE 5, DISODIUM SALT, Disodium 5,5',7,7'-tetrabromo(2,2'-bi-1H-indole)-3,3'-diyl disulphate
| Molecular Formula | C16H6Br4N2Na2O8S2 |
|---|---|
| Molecular Weight | 779.61 g/mol |
| LogP | -0.95 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 783.60535 |
| Heavy Atoms | 34 |
| Complexity | 815.0 |
Chemical Identifiers
| CAS Number | 2702-33-2 |
|---|---|
| SMILES | C1=C(C=C(C2=C1C(=C(N2)C3=C(C4=C(N3)C(=CC(=C4)Br)Br)OS(=O)(=O)[O-])OS(=O)(=O)[O-])Br)Br.[Na+].[Na+] |
| InChIKey | ZBGMJIMKBFEAHJ-UHFFFAOYSA-L |
Product Overview
Soluble vat Blue 2B (CAS 2702-33-2), with molecular formula C16H6Br4N2Na2O8S2 and molecular weight 779.61 g/mol. IUPAC: disodium;[5,7-dibromo-2-(5,7-dibromo-3-sulfonatooxy-1H-indol-2-yl)-1H-indol-3-yl] sulfate.
Chemical Property Profile of Soluble vat Blue 2B
Property Insights of Soluble vat Blue 2B
The XLogP value of -0.95 indicates that Soluble vat Blue 2B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting Soluble vat Blue 2B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Soluble vat Blue 2B has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Soluble vat Blue 2B?
The CAS number of Soluble vat Blue 2B is 2702-33-2.
What is the molecular formula of Soluble vat Blue 2B?
The molecular formula of Soluble vat Blue 2B is C16H6Br4N2Na2O8S2.
What is the molecular weight of Soluble vat Blue 2B?
The molecular weight of Soluble vat Blue 2B is 779.61 g/mol.
Where can I buy Soluble vat Blue 2B?
You can request a quote for Soluble vat Blue 2B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Soluble vat Blue 2B?
Yes, KEHONG BIO provides custom synthesis services for Soluble vat Blue 2B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.