RefChem:1095744
TL;DR: RefChem:1095744 (CAS 25558-81-0) is a chemical compound with molecular formula C28H32N2O9 and molecular weight 540.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-methyl-4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine
Also Known As: 1-(10,11-Dihydro-8-methyldibenz(b,f)oxepin-10-yl)-4-methylpiperazine maleate (1:2), Piperazine, 1-(10,11-dihydro-8-methyldibenz(b,f)oxepin-10-yl)-4-methyl-, maleate (1:2), 8-Methyl-10-(4-methylpiperazino)-10,11-dihydrodibenz(b,f)oxepin bis(hydrogen maleate), (E)-but-2-enedioic acid; 1-methyl-4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine, RefChem:1095744
| Molecular Formula | C28H32N2O9 |
|---|---|
| Molecular Weight | 540.21 g/mol |
| LogP | 3.05552 |
| Topological Polar Surface Area | 164.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.21075 |
| Heavy Atoms | 39 |
| Complexity | 1165.2896 |
Chemical Identifiers
| CAS Number | 25558-81-0 |
|---|---|
| SMILES | CC1=CC2=C(OC3=CC=CC=C3CC2N4CCN(CC4)C)C=C1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095744 (CAS 25558-81-0), with molecular formula C28H32N2O9 and molecular weight 540.21 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-methyl-4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine.
Chemical Property Profile of RefChem:1095744
Property Insights of RefChem:1095744
The XLogP value of 3.05552 indicates that RefChem:1095744 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.91 Ų indicates high polarity, suggesting RefChem:1095744 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095744 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095744?
The CAS number of RefChem:1095744 is 25558-81-0.
What is the molecular formula of RefChem:1095744?
The molecular formula of RefChem:1095744 is C28H32N2O9.
What is the molecular weight of RefChem:1095744?
The molecular weight of RefChem:1095744 is 540.21 g/mol.
Where can I buy RefChem:1095744?
You can request a quote for RefChem:1095744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095744?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.