RefChem:1096015
TL;DR: RefChem:1096015 (CAS 55037-65-5) is a chemical compound with molecular formula C25H34N2O8 and molecular weight 490.23 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-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine
Also Known As: 1-Methyl-4-((6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)piperazine dimaleate, Piperazine, 1-methyl-4-((6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 1-methyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine, RefChem:1096015
| Molecular Formula | C25H34N2O8 |
|---|---|
| Molecular Weight | 490.23 g/mol |
| LogP | 2.1265 |
| Topological Polar Surface Area | 155.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.2315 |
| Heavy Atoms | 35 |
| Complexity | 852.04193 |
Chemical Identifiers
| CAS Number | 55037-65-5 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=CC3=C(C=C2)CCCCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096015 (CAS 55037-65-5), with molecular formula C25H34N2O8 and molecular weight 490.23 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-methyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine.
Chemical Property Profile of RefChem:1096015
Property Insights of RefChem:1096015
The XLogP value of 2.1265 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1096015. The TPSA of 155.68 Ų indicates high polarity, suggesting RefChem:1096015 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1096015 has 4 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:1096015?
The CAS number of RefChem:1096015 is 55037-65-5.
What is the molecular formula of RefChem:1096015?
The molecular formula of RefChem:1096015 is C25H34N2O8.
What is the molecular weight of RefChem:1096015?
The molecular weight of RefChem:1096015 is 490.23 g/mol.
Where can I buy RefChem:1096015?
You can request a quote for RefChem:1096015 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096015?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.