Vat Voilet 3
TL;DR: Vat Voilet 3 (CAS 879417-96-6) is a chemical compound with molecular formula C20H14Cl2O2S2 and molecular weight 419.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-5-chloro-2-(5-chloro-4,7-dimethyl-3-oxo-1-benzothiophen-2-ylidene)-4,7-dimethyl-1-benzothiophen-3-one
Also Known As: Vat Voilet 3, Arlanone Magenta B, Navindon Magenta B, Sandothrene Red 2B, Indazin Bordeaux RRL
| Molecular Formula | C20H14Cl2O2S2 |
|---|---|
| Molecular Weight | 419.98 g/mol |
| LogP | 6.71568 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 419.98123 |
| Heavy Atoms | 26 |
| Complexity | 998.6944 |
Chemical Identifiers
| CAS Number | 879417-96-6 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1S/C(=C\3/C(=O)C4=C(S3)C(=CC(=C4C)Cl)C)/C2=O)C)Cl |
Product Overview
Vat Voilet 3 (CAS 879417-96-6), with molecular formula C20H14Cl2O2S2 and molecular weight 419.98 g/mol. IUPAC: (2Z)-5-chloro-2-(5-chloro-4,7-dimethyl-3-oxo-1-benzothiophen-2-ylidene)-4,7-dimethyl-1-benzothiophen-3-one.
Chemical Property Profile of Vat Voilet 3
Property Insights of Vat Voilet 3
The XLogP value of 6.71568 indicates that Vat Voilet 3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, Vat Voilet 3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vat Voilet 3 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vat Voilet 3?
The CAS number of Vat Voilet 3 is 879417-96-6.
What is the molecular formula of Vat Voilet 3?
The molecular formula of Vat Voilet 3 is C20H14Cl2O2S2.
What is the molecular weight of Vat Voilet 3?
The molecular weight of Vat Voilet 3 is 419.98 g/mol.
Where can I buy Vat Voilet 3?
You can request a quote for Vat Voilet 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vat Voilet 3?
Yes, KEHONG BIO provides custom synthesis services for Vat Voilet 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.