RefChem:564348
TL;DR: RefChem:564348 (CAS 25180-42-1) is a chemical compound with molecular formula C30H26N12O6S2 and molecular weight 714.154 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[2,4-diamino-5-[[3-[[2,4-diamino-5-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid
Also Known As: C.I. Direct Brown 44, C.I. Direct Brown 44 parent, Benzenesulfonic acid, 4,4'-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bis-, 4,4'-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bisbenzenesulfonic acid, Benzenesulfonic acid, 4,4'-(1,3-phenylenebis(azo(4,6-diamino-3,1-phenylene)azo))bis-
Technical Specifications
| Molecular Formula | C30H26N12O6S2 |
| Molecular Weight | 714.154 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 328.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 714.154 Da |
| Heavy Atoms | 50 |
| Complexity | 1330.0 |
| SMILES | C1=CC(=CC(=C1)N=NC2=C(C=C(C(=C2)N=NC3=CC=C(C=C3)S(=O)(=O)O)N)N)N=NC4=C(C=C(C(=C4)N=NC5=CC=C(C=C5)S(=O)(=O)O)N)N |
| InChIKey | VQTOPLCPNHCQCO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:564348
Property Insights of RefChem:564348
The XLogP value of 3.8 indicates that RefChem:564348 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 328.0 Ų indicates high polarity, suggesting RefChem:564348 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:564348 has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:564348?
The CAS number of RefChem:564348 is 25180-42-1.
What is the molecular formula of RefChem:564348?
The molecular formula of RefChem:564348 is C30H26N12O6S2.
What is the molecular weight of RefChem:564348?
The molecular weight of RefChem:564348 is 714.154 g/mol.
Where can I buy RefChem:564348?
You can request a quote for RefChem:564348 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:564348?
Yes, CoreyChem provides custom synthesis services for RefChem:564348 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.