EINECS 226-863-5
TL;DR: EINECS 226-863-5 (CAS 5517-35-1) is a chemical compound with molecular formula C27H19NO7S and molecular weight 501.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) 4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxybenzenesulfonate
Also Known As: EINECS 226-863-5, m-tolylp-[oxy]benzenesulphonate, m-tolylp-[ oxy]benzenesulphonate, m-Tolyl p-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy)benzenesulphonate, (3-methylphenyl) 4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxybenzenesulfonate
| Molecular Formula | C27H19NO7S |
|---|---|
| Molecular Weight | 501.09 g/mol |
| LogP | 4.61822 |
| Topological Polar Surface Area | 132.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.08823 |
| Heavy Atoms | 36 |
| Complexity | 1658.5355 |
Chemical Identifiers
| CAS Number | 5517-35-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N |
Product Overview
EINECS 226-863-5 (CAS 5517-35-1), with molecular formula C27H19NO7S and molecular weight 501.09 g/mol. IUPAC: (3-methylphenyl) 4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxybenzenesulfonate.
Chemical Property Profile of EINECS 226-863-5
Property Insights of EINECS 226-863-5
The XLogP value of 4.61822 indicates that EINECS 226-863-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.99 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 226-863-5. Following Lipinski's Rule of Five, EINECS 226-863-5 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 226-863-5?
The CAS number of EINECS 226-863-5 is 5517-35-1.
What is the molecular formula of EINECS 226-863-5?
The molecular formula of EINECS 226-863-5 is C27H19NO7S.
What is the molecular weight of EINECS 226-863-5?
The molecular weight of EINECS 226-863-5 is 501.09 g/mol.
Where can I buy EINECS 226-863-5?
You can request a quote for EINECS 226-863-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 226-863-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 226-863-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.