Einecs 246-712-7
TL;DR: Einecs 246-712-7 (CAS 25180-11-4) is a chemical compound with molecular formula C46H31N7O14S4 and molecular weight 1033.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[[4-[(2E)-2-(6-anilino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
Also Known As: Direct Blue 81 free acid, EINECS 246-712-7, 4-Hydroxy-5-((4-((4-((1-hydroxy-6-(phenylamino)-3-sulpho-2-naphthyl)azo)-6-sulphonaphthyl)azo)naphthyl)azo)naphthalene-2,7-disulphonic acid, 4-hydroxy-5-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulpho-2-naphthyl]azo]-6-sulphonaphthyl]azo]naphthyl]azo]naphthalene-2,7-disulphonic acid
| Molecular Formula | C46H31N7O14S4 |
|---|---|
| Molecular Weight | 1033.08 g/mol |
| LogP | 10.0594 |
| Topological Polar Surface Area | 340.64 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Exact Mass | 1033.0812 |
| Heavy Atoms | 71 |
| Complexity | 4200.682 |
Chemical Identifiers
| CAS Number | 25180-11-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=O)/C(=N\NC4=C5C=C(C=CC5=C(C=C4)N=NC6=CC=C(C7=CC=CC=C76)N=NC8=C9C(=CC(=C8)S(=O)(=O)O)C=C(C=C9O)S(=O)(=O)O)S(=O)(=O)O)/C(=C3)S(=O)(=O)O |
Product Overview
Einecs 246-712-7 (CAS 25180-11-4), with molecular formula C46H31N7O14S4 and molecular weight 1033.08 g/mol. IUPAC: 4-[[4-[[4-[(2E)-2-(6-anilino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid.
Chemical Property Profile of Einecs 246-712-7
Property Insights of Einecs 246-712-7
The XLogP value of 10.0594 indicates that Einecs 246-712-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 340.64 Ų indicates high polarity, suggesting Einecs 246-712-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 246-712-7 has 7 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 246-712-7?
The CAS number of Einecs 246-712-7 is 25180-11-4.
What is the molecular formula of Einecs 246-712-7?
The molecular formula of Einecs 246-712-7 is C46H31N7O14S4.
What is the molecular weight of Einecs 246-712-7?
The molecular weight of Einecs 246-712-7 is 1033.08 g/mol.
Where can I buy Einecs 246-712-7?
You can request a quote for Einecs 246-712-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 246-712-7?
Yes, KEHONG BIO provides custom synthesis services for Einecs 246-712-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.