RefChem:1095765
TL;DR: RefChem:1095765 (CAS 81320-31-2) is a chemical compound with molecular formula C28H32N2O10 and molecular weight 556.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]-4-methylpiperazine;bis((E)-but-2-enedioic acid)
Also Known As: 4-Methyl 2-(dibenzo(b,e) 1,4-dioxepin-11-yl)ethyl 1-piperazine difumarate [French], Piperazine, 1-(2-(11H-dibenzo(b,e)(1,4)dioxepin-11-yl)ethyl)-4-methyl-, (+-)-, (E)-2-butenedioate (1:2), 4-Methyl 2-(dibenzo(b,e) 1,4-dioxepin-11-yl)ethyl 1-piperazine difumarate, 1-[2-(6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]-4-methylpiperazine; (E)-but-2-enedioic acid, RefChem:1095765
| Molecular Formula | C28H32N2O10 |
|---|---|
| Molecular Weight | 556.21 g/mol |
| LogP | 2.9735 |
| Topological Polar Surface Area | 174.14 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 556.2057 |
| Heavy Atoms | 40 |
| Complexity | 1153.0759 |
Chemical Identifiers
| CAS Number | 81320-31-2 |
|---|---|
| SMILES | CN1CCN(CC1)CCC2OC3=CC=CC=C3OC4=CC=CC=C24.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095765 (CAS 81320-31-2), with molecular formula C28H32N2O10 and molecular weight 556.21 g/mol. IUPAC: 1-[2-(6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]-4-methylpiperazine;bis((E)-but-2-enedioic acid).
Chemical Property Profile of RefChem:1095765
Property Insights of RefChem:1095765
The XLogP value of 2.9735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095765. The TPSA of 174.14 Ų indicates high polarity, suggesting RefChem:1095765 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095765 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095765?
The CAS number of RefChem:1095765 is 81320-31-2.
What is the molecular formula of RefChem:1095765?
The molecular formula of RefChem:1095765 is C28H32N2O10.
What is the molecular weight of RefChem:1095765?
The molecular weight of RefChem:1095765 is 556.21 g/mol.
Where can I buy RefChem:1095765?
You can request a quote for RefChem:1095765 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095765?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095765 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.