1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate
TL;DR: 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate (CAS 101040-93-1) is a chemical compound with molecular formula C29H33ClN2O9S and molecular weight 620.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(but-2-enedioic acid);1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-methoxyethyl)piperazine
Also Known As: 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate, 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine, Piperazine, 1-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)-, maleate (1:2)
| Molecular Formula | C29H33ClN2O9S |
|---|---|
| Molecular Weight | 620.16 g/mol |
| LogP | 3.776 |
| Topological Polar Surface Area | 164.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 620.15955 |
| Heavy Atoms | 42 |
| Complexity | 1227.616 |
Chemical Identifiers
| CAS Number | 101040-93-1 |
|---|---|
| SMILES | COCCN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
Product Overview
1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate (CAS 101040-93-1), with molecular formula C29H33ClN2O9S and molecular weight 620.16 g/mol. IUPAC: bis(but-2-enedioic acid);1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-methoxyethyl)piperazine.
Chemical Property Profile of 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate
Property Insights of 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate
The XLogP value of 3.776 indicates that 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.91 Ų indicates high polarity, suggesting 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate 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 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate?
The CAS number of 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate is 101040-93-1.
What is the molecular formula of 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate?
The molecular formula of 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate is C29H33ClN2O9S.
What is the molecular weight of 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate?
The molecular weight of 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate is 620.16 g/mol.
Where can I buy 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate?
You can request a quote for 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.