RefChem:325527
TL;DR: RefChem:325527 (CAS 51579-76-1) is a chemical compound with molecular formula C17H23NO7S2 and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dihydroxy-4-(4-methylphenyl)sulfonylbenzenesulfonic acid;N-ethylethanamine
Also Known As: 2,5-Dihydroxy-4-sulfo-4'-methyldiphenylsulfone, sel de diethylamine [French], Benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, compd. with N-ethylethanamine (1:1), 2,5-Dihydroxy-4-sulfo-4'-methyldiphenylsulfone, sel de diethylamine, 2,5-dihydroxy-4-(4-methylphenyl)sulfonylbenzenesulfonic acid; N-ethylethanamine, 2,5-Dihydroxy-4-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonic acid--N-ethylethanamine (1/1)
| Molecular Formula | C17H23NO7S2 |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 2.10152 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.09158 |
| Heavy Atoms | 27 |
| Complexity | 980.68713 |
Chemical Identifiers
| CAS Number | 51579-76-1 |
|---|---|
| SMILES | CCNCC.CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2)O)S(=O)(=O)O)O |
Product Overview
RefChem:325527 (CAS 51579-76-1), with molecular formula C17H23NO7S2 and molecular weight 417.09 g/mol. IUPAC: 2,5-dihydroxy-4-(4-methylphenyl)sulfonylbenzenesulfonic acid;N-ethylethanamine.
Chemical Property Profile of RefChem:325527
Property Insights of RefChem:325527
The XLogP value of 2.10152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:325527. The TPSA of 141.0 Ų indicates high polarity, suggesting RefChem:325527 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:325527 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:325527?
The CAS number of RefChem:325527 is 51579-76-1.
What is the molecular formula of RefChem:325527?
The molecular formula of RefChem:325527 is C17H23NO7S2.
What is the molecular weight of RefChem:325527?
The molecular weight of RefChem:325527 is 417.09 g/mol.
Where can I buy RefChem:325527?
You can request a quote for RefChem:325527 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:325527?
Yes, KEHONG BIO provides custom synthesis services for RefChem:325527 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.