EINECS 224-946-0
TL;DR: EINECS 224-946-0 (CAS 4568-45-0) is a chemical compound with molecular formula C29H18N2O17S4 and molecular weight 793.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1-amino-9,10-disulfooxyanthracen-2-yl)-5-sulfooxynaphtho[3,2-f][1,3]benzoxazol-10-yl] hydrogen sulfate
Also Known As: 2-(1-Amino-9,10-bis(sulphooxy)-2-anthryl)anthra(2,3-d)oxazole-5,10-diyl bis(hydrogen sulphate), [2-(1-amino-9,10-disulfooxyanthracen-2-yl)-5-sulfooxynaphtho[3,2-f][1,3]benzoxazol-10-yl] hydrogen sulfate, 1-amino-2-[5,10-bis(sulfooxy)anthra[2,3-d][1,3]oxazol-2-yl]anthracene-9,10-diyl bis(hydrogen sulfate), [1-amino-2-(5,10-disulfooxynaphtho[3,2-f][1,3]benzoxazol-2-yl)-10-sulfooxyanthracen-9-yl] hydrogen sulfate, {2-[1-amino-9,10-bis(sulfooxy)anthracen-2-yl]-10-(sulfooxy)anthra[2,3-d][1,3]oxazol-5-yl}oxidanesulfonic acid
| Molecular Formula | C29H18N2O17S4 |
|---|---|
| Molecular Weight | 793.95 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 340.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 793.94885 |
| Heavy Atoms | 52 |
| Complexity | 1760.0 |
Chemical Identifiers
| CAS Number | 4568-45-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC(=C(C3=C2OS(=O)(=O)O)N)C4=NC5=CC6=C(C7=CC=CC=C7C(=C6C=C5O4)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O |
| InChIKey | QZXVIVPPIIRMCP-UHFFFAOYSA-N |
Product Overview
EINECS 224-946-0 (CAS 4568-45-0), with molecular formula C29H18N2O17S4 and molecular weight 793.95 g/mol. IUPAC: [2-(1-amino-9,10-disulfooxyanthracen-2-yl)-5-sulfooxynaphtho[3,2-f][1,3]benzoxazol-10-yl] hydrogen sulfate.
Chemical Property Profile of EINECS 224-946-0
Property Insights of EINECS 224-946-0
The XLogP value of 3.7 indicates that EINECS 224-946-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 340.0 Ų indicates high polarity, suggesting EINECS 224-946-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 224-946-0 has 5 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 224-946-0?
The CAS number of EINECS 224-946-0 is 4568-45-0.
What is the molecular formula of EINECS 224-946-0?
The molecular formula of EINECS 224-946-0 is C29H18N2O17S4.
What is the molecular weight of EINECS 224-946-0?
The molecular weight of EINECS 224-946-0 is 793.95 g/mol.
Where can I buy EINECS 224-946-0?
You can request a quote for EINECS 224-946-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 224-946-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 224-946-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.