Vat Blue 30
TL;DR: Vat Blue 30 (CAS 6492-78-0) is a chemical compound with molecular formula C37H18F3N3O5S and molecular weight 673.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-amino-3-(5,10-dioxonaphtho[2,3-f][1,3]benzothiazol-2-yl)-9,10-dioxoanthracen-1-yl]-3-(trifluoromethyl)benzamide
Also Known As: Vat Blue 30, Pontamine Brown D3G, INDANTHREN BLUE CLB, MIKETHRENE BLUE CLB, C.I.Vat Blue 30
| Molecular Formula | C37H18F3N3O5S |
|---|---|
| Molecular Weight | 673.09 g/mol |
| LogP | 7.3674 |
| Topological Polar Surface Area | 136.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 673.0919 |
| Heavy Atoms | 49 |
| Complexity | 2463.7427 |
Chemical Identifiers
| CAS Number | 6492-78-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3C2=O)SC(=N4)C5=CC(=C6C(=C5N)C(=O)C7=CC=CC=C7C6=O)NC(=O)C8=CC(=CC=C8)C(F)(F)F |
Product Overview
Vat Blue 30 (CAS 6492-78-0), with molecular formula C37H18F3N3O5S and molecular weight 673.09 g/mol. IUPAC: N-[4-amino-3-(5,10-dioxonaphtho[2,3-f][1,3]benzothiazol-2-yl)-9,10-dioxoanthracen-1-yl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of Vat Blue 30
Property Insights of Vat Blue 30
The XLogP value of 7.3674 indicates that Vat Blue 30 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Vat Blue 30. Following Lipinski's Rule of Five, Vat Blue 30 has 2 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 Vat Blue 30?
The CAS number of Vat Blue 30 is 6492-78-0.
What is the molecular formula of Vat Blue 30?
The molecular formula of Vat Blue 30 is C37H18F3N3O5S.
What is the molecular weight of Vat Blue 30?
The molecular weight of Vat Blue 30 is 673.09 g/mol.
Where can I buy Vat Blue 30?
You can request a quote for Vat Blue 30 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vat Blue 30?
Yes, KEHONG BIO provides custom synthesis services for Vat Blue 30 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.