Direct bordeaux R
TL;DR: Direct bordeaux R (CAS 2302-97-8) is a chemical compound with molecular formula C32H20N4Na2O8S2 and molecular weight 698.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;7-hydroxy-8-[[4-[4-[(2-hydroxy-8-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate
Also Known As: Direct bordeaux R, C.I. Direct Red 44, CONGO VIOLET, disodium8,8'-[[1,1'-biphenyl]-4,4'-diylbis ]bis, 1-Naphthalenesulfonic acid, 8,8'-((1,1'-biphenyl)-4,4'-diylbis(2,1-diazenediyl))bis(7-hydroxy-, sodium salt (1:2)
| Molecular Formula | C32H20N4Na2O8S2 |
|---|---|
| Molecular Weight | 698.05 g/mol |
| LogP | 1.72 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 698.0518 |
| Heavy Atoms | 48 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 2302-97-8 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)S(=O)(=O)[O-])C(=C(C=C2)O)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C=CC6=C5C(=CC=C6)S(=O)(=O)[O-])O.[Na+].[Na+] |
| InChIKey | QOSNOLXFOYXABU-UHFFFAOYSA-L |
Product Overview
Direct bordeaux R (CAS 2302-97-8), with molecular formula C32H20N4Na2O8S2 and molecular weight 698.05 g/mol. IUPAC: disodium;7-hydroxy-8-[[4-[4-[(2-hydroxy-8-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate.
Chemical Property Profile of Direct bordeaux R
Property Insights of Direct bordeaux R
The XLogP value of 1.72 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Direct bordeaux R. The TPSA of 221.0 Ų indicates high polarity, suggesting Direct bordeaux R may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct bordeaux R has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Direct bordeaux R?
The CAS number of Direct bordeaux R is 2302-97-8.
What is the molecular formula of Direct bordeaux R?
The molecular formula of Direct bordeaux R is C32H20N4Na2O8S2.
What is the molecular weight of Direct bordeaux R?
The molecular weight of Direct bordeaux R is 698.05 g/mol.
Where can I buy Direct bordeaux R?
You can request a quote for Direct bordeaux R directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Direct bordeaux R?
Yes, KEHONG BIO provides custom synthesis services for Direct bordeaux R and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.