RefChem:465311
TL;DR: RefChem:465311 (CAS 39582-26-8) is a chemical compound with molecular formula C22H18N2O8S2 and molecular weight 502.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-[3-(2-hydroxyethylsulfonyl)anilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[3-[(2-hydroxyethyl)sulfonyl]phenyl]amino]-9,10-dioxo-, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((3-((2-hydroxyethyl)sulfonyl)phenyl)amino)-9,10-dioxo-, 2-Anthracenesulfonic acid, 1-amino-9-10 di-hydro 4-((3-((2-hydroxyethyl)sulfonyl)phenyl)amino)-9,10-dioxo, 1-amino-4-(3-, A-hydroxyethylsulfonyl)anilino-anthraquinone-2-sulfonic acid
| Molecular Formula | C22H18N2O8S2 |
|---|---|
| Molecular Weight | 502.05 g/mol |
| LogP | 1.8005 |
| Topological Polar Surface Area | 180.93 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.05045 |
| Heavy Atoms | 34 |
| Complexity | 1578.3779 |
Chemical Identifiers
| CAS Number | 39582-26-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)CCO)S(=O)(=O)O)N |
Product Overview
RefChem:465311 (CAS 39582-26-8), with molecular formula C22H18N2O8S2 and molecular weight 502.05 g/mol. IUPAC: 1-amino-4-[3-(2-hydroxyethylsulfonyl)anilino]-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of RefChem:465311
Property Insights of RefChem:465311
The XLogP value of 1.8005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:465311. The TPSA of 180.93 Ų indicates high polarity, suggesting RefChem:465311 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:465311 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:465311?
The CAS number of RefChem:465311 is 39582-26-8.
What is the molecular formula of RefChem:465311?
The molecular formula of RefChem:465311 is C22H18N2O8S2.
What is the molecular weight of RefChem:465311?
The molecular weight of RefChem:465311 is 502.05 g/mol.
Where can I buy RefChem:465311?
You can request a quote for RefChem:465311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465311?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.