Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1)
TL;DR: Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1) (CAS 16926-53-7) is a chemical compound with molecular formula C29H30N2O4S and molecular weight 502.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine;(E)-but-2-enedioic acid
Also Known As: 10-(4-Benzylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate, 1-Benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)piperazine maleate, Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1), 1-benzyl-4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; (E)-but-2-enedioic acid, RefChem:1095991
| Molecular Formula | C29H30N2O4S |
|---|---|
| Molecular Weight | 502.19 g/mol |
| LogP | 4.9646 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 502.19263 |
| Heavy Atoms | 36 |
| Complexity | 1190.6608 |
Chemical Identifiers
| CAS Number | 16926-53-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3CC4=CC=CC=C4SC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O |
Product Overview
Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1) (CAS 16926-53-7), with molecular formula C29H30N2O4S and molecular weight 502.19 g/mol. IUPAC: 1-benzyl-4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine;(E)-but-2-enedioic acid.
Chemical Property Profile of Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1)
Property Insights of Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1)
The XLogP value of 4.9646 indicates that Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1). Following Lipinski's Rule of Five, Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1) has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1)?
The CAS number of Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1) is 16926-53-7.
What is the molecular formula of Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1)?
The molecular formula of Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1) is C29H30N2O4S.
What is the molecular weight of Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1)?
The molecular weight of Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1) is 502.19 g/mol.
Where can I buy Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1)?
You can request a quote for Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-benzyl-4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.