RefChem:465312
TL;DR: RefChem:465312 (CAS 68834-02-6) is a chemical compound with molecular formula C27H20N2O8S2 and molecular weight 564.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-[4-(4-methylphenyl)sulfonyloxyanilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 2-Anthracenesulfonic acid, 1-amino-4-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]amino]-9,10-dihydro-9,10-dioxo-, 2-Anthracenesulfonic acid, 1-amino-4-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)amino)-9,10-dihydro-9,10-dioxo-, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)amino)-9,10-dioxo-, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-((4-methylphenyl)sulfonyloxy)phenyl)amino)-9,10-dioxo-, 1-amino-4-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
| Molecular Formula | C27H20N2O8S2 |
|---|---|
| Molecular Weight | 564.07 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 564.0661 |
| Heavy Atoms | 39 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 68834-02-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)O |
| InChIKey | FDEABYDIRZEBLW-UHFFFAOYSA-N |
Product Overview
RefChem:465312 (CAS 68834-02-6), with molecular formula C27H20N2O8S2 and molecular weight 564.07 g/mol. IUPAC: 1-amino-4-[4-(4-methylphenyl)sulfonyloxyanilino]-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of RefChem:465312
Property Insights of RefChem:465312
The XLogP value of 5.0 indicates that RefChem:465312 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.0 Ų indicates high polarity, suggesting RefChem:465312 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:465312 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:465312?
The CAS number of RefChem:465312 is 68834-02-6.
What is the molecular formula of RefChem:465312?
The molecular formula of RefChem:465312 is C27H20N2O8S2.
What is the molecular weight of RefChem:465312?
The molecular weight of RefChem:465312 is 564.07 g/mol.
Where can I buy RefChem:465312?
You can request a quote for RefChem:465312 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465312?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.