Zotepine impurity 6
TL;DR: Zotepine impurity 6 (CAS 6823-52-5) 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.
2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Zotepine impurity 6, 5-Chloro-1-ethoxy-1,2,3-benzotriazol, Ethylamine, 2-((8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethyl-, maleate (1:1), 2-((8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethylethylamine maleate, 8-Chloro-10-(2-dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin hydrogen maleate
| Molecular Formula | C22H24ClNO5S |
|---|---|
| Molecular Weight | 449.11 g/mol |
| LogP | 1.6266 |
| Topological Polar Surface Area | 91.1 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 | 6823-52-5 |
|---|---|
| SMILES | C[NH+](C)CCOC1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
Zotepine impurity 6 (CAS 6823-52-5), with molecular formula C22H24ClNO5S and molecular weight 449.11 g/mol. IUPAC: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of Zotepine impurity 6
Property Insights of Zotepine impurity 6
The XLogP value of 1.6266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zotepine impurity 6. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Zotepine impurity 6. Following Lipinski's Rule of Five, Zotepine impurity 6 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 6?
The CAS number of Zotepine impurity 6 is 6823-52-5.
What is the molecular formula of Zotepine impurity 6?
The molecular formula of Zotepine impurity 6 is C22H24ClNO5S.
What is the molecular weight of Zotepine impurity 6?
The molecular weight of Zotepine impurity 6 is 449.11 g/mol.
Where can I buy Zotepine impurity 6?
You can request a quote for Zotepine impurity 6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zotepine impurity 6?
Yes, KEHONG BIO provides custom synthesis services for Zotepine impurity 6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.