C.I. Mordant Black 13
TL;DR: C.I. Mordant Black 13 (CAS 1324-21-6) is a chemical compound with molecular formula C26H16N2Na2O9S2 and molecular weight 610.0093 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;4-[[4-hydroxy-9,10-dioxo-3-(4-sulfonatoanilino)anthracen-1-yl]amino]benzenesulfonate
Also Known As: C.I. Mordant Black 13, ALIZARIN BLUE BLACK B, Mordant Black 13, P-(METHYLTHIO)ISOBUTYROPHENONE, disodium 4,4'-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-1,3-diyl)diimino]dibenzenesulfonate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C26H16N2Na2O9S2 |
| Molecular Weight | 610.0093 g/mol |
| XLogP | -2.53 |
| Topological Polar Surface Area (TPSA) | 210.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 610.0093 Da |
| Heavy Atoms | 41 |
| Complexity | 1110.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)S(=O)(=O)[O-])NC5=CC=C(C=C5)S(=O)(=O)[O-])O.[Na+].[Na+] |
| InChIKey | VBUCPERXCODTAQ-UHFFFAOYSA-L |
Chemical Property Profile of C.I. Mordant Black 13
Property Insights of C.I. Mordant Black 13
The XLogP value of -2.53 indicates that C.I. Mordant Black 13 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 210.0 Ų indicates high polarity, suggesting C.I. Mordant Black 13 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Mordant Black 13 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C.I. Mordant Black 13?
The CAS number of C.I. Mordant Black 13 is 1324-21-6.
What is the molecular formula of C.I. Mordant Black 13?
The molecular formula of C.I. Mordant Black 13 is C26H16N2Na2O9S2.
What is the molecular weight of C.I. Mordant Black 13?
The molecular weight of C.I. Mordant Black 13 is 610.0093 g/mol.
Where can I buy C.I. Mordant Black 13?
You can request a quote for C.I. Mordant Black 13 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C.I. Mordant Black 13?
Yes, CoreyChem provides custom synthesis services for C.I. Mordant Black 13 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.