Direct Red 81 free acid
TL;DR: Direct Red 81 free acid (CAS 25188-42-5) is a chemical compound with molecular formula C29H21N5O8S2 and molecular weight 631.0831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-benzamido-4-hydroxy-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
Also Known As: Direct Red 81 free acid, Direct Fast Red 8BL, C.I. Direct Red 81, 5-Ethenyl-1H-imidazole, Solaminrot 4B free acid
Technical Specifications
| Molecular Formula | C29H21N5O8S2 |
| Molecular Weight | 631.0831 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 224.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 631.0831 Da |
| Heavy Atoms | 44 |
| Complexity | 1250.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | IGXZMQCLUNTWCC-UHFFFAOYSA-N |
Chemical Property Profile of Direct Red 81 free acid
Property Insights of Direct Red 81 free acid
The XLogP value of 4.7 indicates that Direct Red 81 free acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 224.0 Ų indicates high polarity, suggesting Direct Red 81 free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct Red 81 free acid has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Direct Red 81 free acid?
The CAS number of Direct Red 81 free acid is 25188-42-5.
What is the molecular formula of Direct Red 81 free acid?
The molecular formula of Direct Red 81 free acid is C29H21N5O8S2.
What is the molecular weight of Direct Red 81 free acid?
The molecular weight of Direct Red 81 free acid is 631.0831 g/mol.
Where can I buy Direct Red 81 free acid?
You can request a quote for Direct Red 81 free acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Direct Red 81 free acid?
Yes, CoreyChem provides custom synthesis services for Direct Red 81 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.