RefChem:1056581
TL;DR: RefChem:1056581 (CAS 56621-72-8) is a chemical compound with molecular formula C24H30N2O7S and molecular weight 490.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-[4-(4-methylphenyl)piperazin-1-yl]-1-(4-methylsulfonylphenyl)ethanol
Also Known As: 1-(4-Methanesulfonylphenyl)-2-(4-p-tolylpiperazino)ethanol maleate, 4-(4-Methylphenyl)-alpha-(4-(methylsulfonyl)phenyl)-1-piperazineethanol maleate, 1-Piperazineethanol, 4-(4-methylphenyl)-alpha-(4-(methylsulfonyl)phenyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2-[4-(4-methylphenyl)piperazin-1-yl]-1-(4-methylsulfonylphenyl)ethanol, RefChem:1056581
| Molecular Formula | C24H30N2O7S |
|---|---|
| Molecular Weight | 490.18 g/mol |
| LogP | 1.96592 |
| Topological Polar Surface Area | 135.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.17737 |
| Heavy Atoms | 34 |
| Complexity | 1073.1464 |
Chemical Identifiers
| CAS Number | 56621-72-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CCN(CC2)CC(C3=CC=C(C=C3)S(=O)(=O)C)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056581 (CAS 56621-72-8), with molecular formula C24H30N2O7S and molecular weight 490.18 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[4-(4-methylphenyl)piperazin-1-yl]-1-(4-methylsulfonylphenyl)ethanol.
Chemical Property Profile of RefChem:1056581
Property Insights of RefChem:1056581
The XLogP value of 1.96592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056581. The TPSA of 135.45 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056581. Following Lipinski's Rule of Five, RefChem:1056581 has 3 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:1056581?
The CAS number of RefChem:1056581 is 56621-72-8.
What is the molecular formula of RefChem:1056581?
The molecular formula of RefChem:1056581 is C24H30N2O7S.
What is the molecular weight of RefChem:1056581?
The molecular weight of RefChem:1056581 is 490.18 g/mol.
Where can I buy RefChem:1056581?
You can request a quote for RefChem:1056581 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056581?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056581 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.