Benzyl Violet 4B parent
TL;DR: Benzyl Violet 4B parent (CAS 25329-63-9) is a chemical compound with molecular formula C39H41N3O6S2 and molecular weight 711.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate
Also Known As: Acid Violet, Coomassie Violet, Wool Violet, acid violet 4bnp, Acid Violet S
| Molecular Formula | C39H41N3O6S2 |
|---|---|
| Molecular Weight | 711.24 g/mol |
| LogP | 6.5314 |
| Topological Polar Surface Area | 121.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 711.24365 |
| Heavy Atoms | 50 |
| Complexity | 2051.3145 |
Chemical Identifiers
| CAS Number | 25329-63-9 |
|---|---|
| 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-] |
Product Overview
Benzyl Violet 4B parent (CAS 25329-63-9), with molecular formula C39H41N3O6S2 and molecular weight 711.24 g/mol. IUPAC: 3-[[4-[(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate.
Chemical Property Profile of Benzyl Violet 4B parent
Property Insights of Benzyl Violet 4B parent
The XLogP value of 6.5314 indicates that Benzyl Violet 4B parent is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl Violet 4B parent. Following Lipinski's Rule of Five, Benzyl Violet 4B parent has 1 hydrogen bond donor(s) and 7 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 parent?
The CAS number of Benzyl Violet 4B parent is 25329-63-9.
What is the molecular formula of Benzyl Violet 4B parent?
The molecular formula of Benzyl Violet 4B parent is C39H41N3O6S2.
What is the molecular weight of Benzyl Violet 4B parent?
The molecular weight of Benzyl Violet 4B parent is 711.24 g/mol.
Where can I buy Benzyl Violet 4B parent?
You can request a quote for Benzyl Violet 4B parent 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 parent?
Yes, KEHONG BIO provides custom synthesis services for Benzyl Violet 4B parent and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.