1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)piperazine maleate
TL;DR: 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)piperazine maleate (CAS 101040-99-7) is a chemical compound with molecular formula C30H31ClN2O5S and molecular weight 566.16 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-6-yl)-4-(2-phenoxyethyl)piperazine
Also Known As: 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)piperazine maleate, 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)piperazine, Piperazine, 1-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, maleate (1:1)
| Molecular Formula | C30H31ClN2O5S |
|---|---|
| Molecular Weight | 566.16 g/mol |
| LogP | 5.4968 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 566.16425 |
| Heavy Atoms | 39 |
| Complexity | 1279.5199 |
Chemical Identifiers
| CAS Number | 101040-99-7 |
|---|---|
| SMILES | C1CN(CCN1CCOC2=CC=CC=C2)C3CC4=C(C=CC(=C4)Cl)SC5=CC=CC=C35.C(=CC(=O)O)C(=O)O |
Product Overview
1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)piperazine maleate (CAS 101040-99-7), with molecular formula C30H31ClN2O5S and molecular weight 566.16 g/mol. IUPAC: but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-phenoxyethyl)piperazine.
Chemical Property Profile of 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)piperazine maleate
Property Insights of 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)piperazine maleate
The XLogP value of 5.4968 indicates that 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)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-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)piperazine maleate. Following Lipinski's Rule of Five, 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)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-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)piperazine maleate?
The CAS number of 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)piperazine maleate is 101040-99-7.
What is the molecular formula of 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)piperazine maleate?
The molecular formula of 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)piperazine maleate is C30H31ClN2O5S.
What is the molecular weight of 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)piperazine maleate?
The molecular weight of 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)piperazine maleate is 566.16 g/mol.
Where can I buy 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)piperazine maleate?
You can request a quote for 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)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-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)piperazine maleate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)piperazine maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.