Patent Blue V sodium
TL;DR: Patent Blue V sodium (CAS 20262-76-4) is a chemical compound with molecular formula C27H31N2NaO7S2 and molecular weight 582.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulfonate
Also Known As: Patent Blue V sodium, Patent blue V sodium salt, Patent Blue V, Acid blue 3 sodium salt, Patent Blue
| Molecular Formula | C27H31N2NaO7S2 |
|---|---|
| Molecular Weight | 582.15 g/mol |
| LogP | 0.4718 |
| Topological Polar Surface Area | 140.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 582.14703 |
| Heavy Atoms | 39 |
| Complexity | 1529.7297 |
Chemical Identifiers
| CAS Number | 20262-76-4 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+] |
Product Overview
Patent Blue V sodium (CAS 20262-76-4), with molecular formula C27H31N2NaO7S2 and molecular weight 582.15 g/mol. IUPAC: sodium 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulfonate.
Chemical Property Profile of Patent Blue V sodium
Property Insights of Patent Blue V sodium
The XLogP value of 0.4718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Patent Blue V sodium. The TPSA of 140.88 Ų indicates high polarity, suggesting Patent Blue V sodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Patent Blue V sodium has 1 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 Patent Blue V sodium?
The CAS number of Patent Blue V sodium is 20262-76-4.
What is the molecular formula of Patent Blue V sodium?
The molecular formula of Patent Blue V sodium is C27H31N2NaO7S2.
What is the molecular weight of Patent Blue V sodium?
The molecular weight of Patent Blue V sodium is 582.15 g/mol.
Where can I buy Patent Blue V sodium?
You can request a quote for Patent Blue V sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Patent Blue V sodium?
Yes, KEHONG BIO provides custom synthesis services for Patent Blue V sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.