Zotepine impurity 11
TL;DR: Zotepine impurity 11 (CAS 4789-54-2) is a chemical compound with molecular formula C22H24ClNO5S and molecular weight 449.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-N,N-dimethylethanamine
Also Known As: Zotepine impurity 11, 2-((2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethylethylamine maleate, Ethylamine, 2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethyl-, maleate (1:1), (Z)-but-2-enedioic acid; 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-N,N-dimethylethanamine, RefChem:1085142
| Molecular Formula | C22H24ClNO5S |
|---|---|
| Molecular Weight | 449.11 g/mol |
| LogP | 4.3784 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.10638 |
| Heavy Atoms | 30 |
| Complexity | 900.15094 |
Chemical Identifiers
| CAS Number | 4789-54-2 |
|---|---|
| SMILES | CN(C)CCOC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13.C(=C\C(=O)O)\C(=O)O |
Product Overview
Zotepine impurity 11 (CAS 4789-54-2), with molecular formula C22H24ClNO5S and molecular weight 449.11 g/mol. IUPAC: (Z)-but-2-enedioic acid;2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-N,N-dimethylethanamine.
Chemical Property Profile of Zotepine impurity 11
Property Insights of Zotepine impurity 11
The XLogP value of 4.3784 indicates that Zotepine impurity 11 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Zotepine impurity 11. Following Lipinski's Rule of Five, Zotepine impurity 11 has 2 hydrogen bond donor(s) and 5 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 Zotepine impurity 11?
The CAS number of Zotepine impurity 11 is 4789-54-2.
What is the molecular formula of Zotepine impurity 11?
The molecular formula of Zotepine impurity 11 is C22H24ClNO5S.
What is the molecular weight of Zotepine impurity 11?
The molecular weight of Zotepine impurity 11 is 449.11 g/mol.
Where can I buy Zotepine impurity 11?
You can request a quote for Zotepine impurity 11 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zotepine impurity 11?
Yes, KEHONG BIO provides custom synthesis services for Zotepine impurity 11 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.