C.I. Vat Blue 21
TL;DR: C.I. Vat Blue 21 (CAS 6219-97-2) is a chemical compound with molecular formula C29H15F3N2O4 and molecular weight 512.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5,8,14-trioxo-11-(trifluoromethyl)-13H-naphtho[2,3-c]acridin-6-yl]benzamide
Also Known As: C.I. Vat Blue 21, C.I.Vat Blue 21, Benzamide, N-[5,8,13,14-tetrahydro-5,8,14-trioxo-11-(trifluoromethyl)naphth[2,3-c]acridin-6-yl]-, N-[5,8,14-trioxo-11-(trifluoromethyl)-13H-naphtho[2,3-c]acridin-6-yl]benzamide, Benzamide, N-(5,8,13,14-tetrahydro-5,8,14-trioxo-11-(trifluoromethyl)naphth(2,3-c)acridin-6-yl)-
| Molecular Formula | C29H15F3N2O4 |
|---|---|
| Molecular Weight | 512.10 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 512.0984 |
| Heavy Atoms | 38 |
| Complexity | 993.0 |
Chemical Identifiers
| CAS Number | 6219-97-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=C3C(=C4C(=C2)C(=O)C5=C(N4)C=C(C=C5)C(F)(F)F)C(=O)C6=CC=CC=C6C3=O |
| InChIKey | JFNJYBPWYDSPLH-UHFFFAOYSA-N |
Product Overview
C.I. Vat Blue 21 (CAS 6219-97-2), with molecular formula C29H15F3N2O4 and molecular weight 512.10 g/mol. IUPAC: N-[5,8,14-trioxo-11-(trifluoromethyl)-13H-naphtho[2,3-c]acridin-6-yl]benzamide.
Chemical Property Profile of C.I. Vat Blue 21
Property Insights of C.I. Vat Blue 21
The XLogP value of 6.2 indicates that C.I. Vat Blue 21 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C.I. Vat Blue 21. Following Lipinski's Rule of Five, C.I. Vat Blue 21 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 C.I. Vat Blue 21?
The CAS number of C.I. Vat Blue 21 is 6219-97-2.
What is the molecular formula of C.I. Vat Blue 21?
The molecular formula of C.I. Vat Blue 21 is C29H15F3N2O4.
What is the molecular weight of C.I. Vat Blue 21?
The molecular weight of C.I. Vat Blue 21 is 512.10 g/mol.
Where can I buy C.I. Vat Blue 21?
You can request a quote for C.I. Vat Blue 21 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 Blue 21?
Yes, KEHONG BIO provides custom synthesis services for C.I. Vat Blue 21 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.