RefChem:325582
TL;DR: RefChem:325582 (CAS 59687-52-4) is a chemical compound with molecular formula C18H24N2O7S2 and molecular weight 444.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethylphenyl)sulfonyloxy-2-hydroxybenzenesulfonic acid;piperazine
Also Known As: 5-(((3,4-Dimethylphenyl)sulfonyl)oxy)-2-hydroxybenzenesulfonic acid compd. with piperazine, Benzenesulfonic acid, 5-(((3,4-dimethylphenyl)sulfonyl)oxy)-2-hydroxy-, compd. with piperazine (1:1), 5-(3,4-dimethylphenyl)sulfonyloxy-2-hydroxybenzenesulfonic acid; piperazine, 5-(3,4-Dimethylphenyl)sulfonyloxy-2-hydroxybenzenesulfonic acid;piperazine, 5-[(3,4-Dimethylbenzene-1-sulfonyl)oxy]-2-hydroxybenzene-1-sulfonic acid--piperazine (1/1)
| Molecular Formula | C18H24N2O7S2 |
|---|---|
| Molecular Weight | 444.10 g/mol |
| LogP | 1.20264 |
| Topological Polar Surface Area | 142.03 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.1025 |
| Heavy Atoms | 29 |
| Complexity | 1052.1025 |
Chemical Identifiers
| CAS Number | 59687-52-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)O)S(=O)(=O)O)C.C1CNCCN1 |
Product Overview
RefChem:325582 (CAS 59687-52-4), with molecular formula C18H24N2O7S2 and molecular weight 444.10 g/mol. IUPAC: 5-(3,4-dimethylphenyl)sulfonyloxy-2-hydroxybenzenesulfonic acid;piperazine.
Chemical Property Profile of RefChem:325582
Property Insights of RefChem:325582
The XLogP value of 1.20264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:325582. The TPSA of 142.03 Ų indicates high polarity, suggesting RefChem:325582 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:325582 has 4 hydrogen bond donor(s) and 8 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:325582?
The CAS number of RefChem:325582 is 59687-52-4.
What is the molecular formula of RefChem:325582?
The molecular formula of RefChem:325582 is C18H24N2O7S2.
What is the molecular weight of RefChem:325582?
The molecular weight of RefChem:325582 is 444.10 g/mol.
Where can I buy RefChem:325582?
You can request a quote for RefChem:325582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:325582?
Yes, KEHONG BIO provides custom synthesis services for RefChem:325582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.