RefChem:1095732
TL;DR: RefChem:1095732 (CAS 25558-85-4) is a chemical compound with molecular formula C24H28N2O5S and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine
Also Known As: 1-(10,11-Dihydro-8-(methylthio)dibenz(b,f)oxepin-10-yl)-4-methylpiperazine maleate, Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenz(b,f)oxepin-10-yl)-4-methyl-, maleate (1:1), (E)-but-2-enedioic acid; 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine, Piperazine, 1-[10,11-dihydro-8-(methylthio)dibenz[b,f]oxepin-10-yl]-4-methyl-, (Z)-2-butenedioate (1:1), Piperazine, 1-[10,11-dihydro-8-(methylthio)dibenz[b,f]oxepin-10-yl]-4-methyl-, maleate (1:1)
| Molecular Formula | C24H28N2O5S |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 3.7572 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.1719 |
| Heavy Atoms | 32 |
| Complexity | 970.1049 |
Chemical Identifiers
| CAS Number | 25558-85-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3OC4=C2C=C(C=C4)SC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095732 (CAS 25558-85-4), with molecular formula C24H28N2O5S and molecular weight 456.17 g/mol. IUPAC: (E)-but-2-enedioic acid;1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine.
Chemical Property Profile of RefChem:1095732
Property Insights of RefChem:1095732
The XLogP value of 3.7572 indicates that RefChem:1095732 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095732. Following Lipinski's Rule of Five, RefChem:1095732 has 2 hydrogen bond donor(s) and 6 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:1095732?
The CAS number of RefChem:1095732 is 25558-85-4.
What is the molecular formula of RefChem:1095732?
The molecular formula of RefChem:1095732 is C24H28N2O5S.
What is the molecular weight of RefChem:1095732?
The molecular weight of RefChem:1095732 is 456.17 g/mol.
Where can I buy RefChem:1095732?
You can request a quote for RefChem:1095732 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095732?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095732 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.