Calcofluor White
TL;DR: Calcofluor White (CAS 4404-43-7) is a chemical compound with molecular formula C40H44N12O10S2 and molecular weight 916.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Also Known As: Calcofluor White, Calcofluor M2R, Calcofluor White M2R, Fluorescent Brightener 28, Fluorescent brighter OB
| Molecular Formula | C40H44N12O10S2 |
|---|---|
| Molecular Weight | 916.27 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 338.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 22 |
| Exact Mass | 916.2745 |
| Heavy Atoms | 64 |
| Complexity | 1490.0 |
Chemical Identifiers
| CAS Number | 4404-43-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | CNGYZEMWVAWWOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcofluor White (CAS 4404-43-7), with molecular formula C40H44N12O10S2 and molecular weight 916.27 g/mol. IUPAC: 5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid.
Chemical Property Profile of Calcofluor White
Property Insights of Calcofluor White
The XLogP value of 3.5 indicates that Calcofluor White is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 338.0 Ų indicates high polarity, suggesting Calcofluor White may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcofluor White has 10 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcofluor White?
The CAS number of Calcofluor White is 4404-43-7.
What is the molecular formula of Calcofluor White?
The molecular formula of Calcofluor White is C40H44N12O10S2.
What is the molecular weight of Calcofluor White?
The molecular weight of Calcofluor White is 916.27 g/mol.
Where can I buy Calcofluor White?
You can request a quote for Calcofluor White directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcofluor White?
Yes, KEHONG BIO provides custom synthesis services for Calcofluor White and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.