C.I.Vat Violet 5
TL;DR: C.I.Vat Violet 5 (CAS 6904-93-4) is a chemical compound with molecular formula C16H4Cl5NO2S and molecular weight 448.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dichloro-2-(5,6,7-trichloro-3-hydroxy-1-benzothiophen-2-yl)indol-3-one
Also Known As: C.I.Vat Violet 5, Indanthren Printing Violet BBF, 5,7-Dichloro-1,2-dihydro-2-(5,6,7-trichloro-3-oxobenzo(b)thien-2(3H)-ylidene)-3H-indol-3-one, 5,7-DICHLORO-1,2-DIHYDRO-2-(5,6,7-TRICHLORO-3-OXOBENZO[B]THIEN-2(3H)-YLIDENE)-3H-INDOL-3-ONE, (2E)-5,7-dichloro-2-(5,6,7-trichloro-3-oxo-1-benzothiophen-2-ylidene)-1H-indol-3-one
| Molecular Formula | C16H4Cl5NO2S |
|---|---|
| Molecular Weight | 448.84 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 450.8376 |
| Heavy Atoms | 25 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 6904-93-4 |
|---|---|
| SMILES | C1=C(C=C(C2=C1C(=O)C(=N2)C3=C(C4=CC(=C(C(=C4S3)Cl)Cl)Cl)O)Cl)Cl |
| InChIKey | MWLVLPCWHYMWAB-UHFFFAOYSA-N |
Product Overview
C.I.Vat Violet 5 (CAS 6904-93-4), with molecular formula C16H4Cl5NO2S and molecular weight 448.84 g/mol. IUPAC: 5,7-dichloro-2-(5,6,7-trichloro-3-hydroxy-1-benzothiophen-2-yl)indol-3-one.
Chemical Property Profile of C.I.Vat Violet 5
Property Insights of C.I.Vat Violet 5
The XLogP value of 6.8 indicates that C.I.Vat Violet 5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C.I.Vat Violet 5. Following Lipinski's Rule of Five, C.I.Vat Violet 5 has 1 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 C.I.Vat Violet 5?
The CAS number of C.I.Vat Violet 5 is 6904-93-4.
What is the molecular formula of C.I.Vat Violet 5?
The molecular formula of C.I.Vat Violet 5 is C16H4Cl5NO2S.
What is the molecular weight of C.I.Vat Violet 5?
The molecular weight of C.I.Vat Violet 5 is 448.84 g/mol.
Where can I buy C.I.Vat Violet 5?
You can request a quote for C.I.Vat Violet 5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I.Vat Violet 5?
Yes, KEHONG BIO provides custom synthesis services for C.I.Vat Violet 5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.