Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2)
TL;DR: Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2) (CAS 21699-87-6) is a chemical compound with molecular formula C23H30N2O8S and molecular weight 494.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine
Also Known As: 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine maleate (1:2), Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2), (Z)-but-2-enedioic acid; 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine, RefChem:1096019
| Molecular Formula | C23H30N2O8S |
|---|---|
| Molecular Weight | 494.17 g/mol |
| LogP | 2.2846 |
| Topological Polar Surface Area | 155.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.1723 |
| Heavy Atoms | 34 |
| Complexity | 828.71124 |
Chemical Identifiers
| CAS Number | 21699-87-6 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=CC=CC=C3SCCC2.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2) (CAS 21699-87-6), with molecular formula C23H30N2O8S and molecular weight 494.17 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine.
Chemical Property Profile of Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2)
Property Insights of Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2)
The XLogP value of 2.2846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2). The TPSA of 155.68 Ų indicates high polarity, suggesting Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2) has 4 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 Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2)?
The CAS number of Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2) is 21699-87-6.
What is the molecular formula of Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2)?
The molecular formula of Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2) is C23H30N2O8S.
What is the molecular weight of Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2)?
The molecular weight of Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2) is 494.17 g/mol.
Where can I buy Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2)?
You can request a quote for Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.