Benzyl Violet 4B
TL;DR: Benzyl Violet 4B (CAS 1694-09-3) is a chemical compound with molecular formula C39H40N3NaO6S2 and molecular weight 733.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-[[4-[(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate
Also Known As: Acid Violet 49, Benzyl Violet 4B, Acid violet 6B, Acid Violet, Coomassie Violet
| Molecular Formula | C39H40N3NaO6S2 |
|---|---|
| Molecular Weight | 733.23 g/mol |
| LogP | 3.1928 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 733.22565 |
| Heavy Atoms | 51 |
| Complexity | 2058.4155 |
Chemical Identifiers
| CAS Number | 1694-09-3 |
|---|---|
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-].[Na+] |
Product Overview
Benzyl Violet 4B (CAS 1694-09-3), with molecular formula C39H40N3NaO6S2 and molecular weight 733.23 g/mol. IUPAC: sodium 3-[[4-[(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate.
Chemical Property Profile of Benzyl Violet 4B
Property Insights of Benzyl Violet 4B
The XLogP value of 3.1928 indicates that Benzyl Violet 4B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl Violet 4B. Following Lipinski's Rule of Five, Benzyl Violet 4B has 0 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 Benzyl Violet 4B?
The CAS number of Benzyl Violet 4B is 1694-09-3.
What is the molecular formula of Benzyl Violet 4B?
The molecular formula of Benzyl Violet 4B is C39H40N3NaO6S2.
What is the molecular weight of Benzyl Violet 4B?
The molecular weight of Benzyl Violet 4B is 733.23 g/mol.
Where can I buy Benzyl Violet 4B?
You can request a quote for Benzyl Violet 4B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl Violet 4B?
Yes, KEHONG BIO provides custom synthesis services for Benzyl Violet 4B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.