EINECS 279-958-9
TL;DR: EINECS 279-958-9 (CAS 82457-16-7) 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.
(2-methylphenyl) 4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxybenzenesulfonate
Also Known As: EINECS 279-958-9, o-Tolyl p-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy)benzenesulphonate, (2-methylphenyl) 4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxybenzenesulfonate, 2-METHYLPHENYL 4-[(1-AMINO-4-HYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACEN-2-YL)OXY]BENZENE-1-SULFONATE, o-Tolyl p-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]benzenesulfonate
| 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 | 82457-16-7 |
|---|---|
| SMILES | CC1=CC=CC=C1OS(=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 279-958-9 (CAS 82457-16-7), with molecular formula C27H19NO7S and molecular weight 501.09 g/mol. IUPAC: (2-methylphenyl) 4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxybenzenesulfonate.
Chemical Property Profile of EINECS 279-958-9
Property Insights of EINECS 279-958-9
The XLogP value of 4.61822 indicates that EINECS 279-958-9 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 279-958-9. Following Lipinski's Rule of Five, EINECS 279-958-9 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 279-958-9?
The CAS number of EINECS 279-958-9 is 82457-16-7.
What is the molecular formula of EINECS 279-958-9?
The molecular formula of EINECS 279-958-9 is C27H19NO7S.
What is the molecular weight of EINECS 279-958-9?
The molecular weight of EINECS 279-958-9 is 501.09 g/mol.
Where can I buy EINECS 279-958-9?
You can request a quote for EINECS 279-958-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 279-958-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 279-958-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.