1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate
TL;DR: 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate (CAS 101040-85-1) is a chemical compound with molecular formula C26H31ClN2O5S and molecular weight 518.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-ethoxyethyl)piperazine
Also Known As: 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate, 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)-, maleate (1:1)
| Molecular Formula | C26H31ClN2O5S |
|---|---|
| Molecular Weight | 518.16 g/mol |
| LogP | 4.4543 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.16425 |
| Heavy Atoms | 35 |
| Complexity | 1024.1522 |
Chemical Identifiers
| CAS Number | 101040-85-1 |
|---|---|
| SMILES | CCOCCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=CC(=O)O)C(=O)O |
Product Overview
1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate (CAS 101040-85-1), with molecular formula C26H31ClN2O5S and molecular weight 518.16 g/mol. IUPAC: but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-ethoxyethyl)piperazine.
Chemical Property Profile of 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate
Property Insights of 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate
The XLogP value of 4.4543 indicates that 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate. Following Lipinski's Rule of Five, 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate?
The CAS number of 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate is 101040-85-1.
What is the molecular formula of 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate?
The molecular formula of 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate is C26H31ClN2O5S.
What is the molecular weight of 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate?
The molecular weight of 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate is 518.16 g/mol.
Where can I buy 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate?
You can request a quote for 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate?
Yes, KEHONG BIO provides custom synthesis services for 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-ethoxyethyl)piperazine maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.