Docloxythepin N,S-dioxide
TL;DR: Docloxythepin N,S-dioxide (CAS 73225-76-0) is a chemical compound with molecular formula C20H23ClN2O3S and molecular weight 406.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol
Also Known As: Docloxythepin N,S-dioxide, 1-Piperazineethanol, 4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, S,1-dioxide, 2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol, 2-Chloro-10-[4-(2-hydroxyethyl)-4-oxo-4lambda~5~-piperazin-1-yl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one, BRN 0849719
| Molecular Formula | C20H23ClN2O3S |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | 2.7264 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.1118 |
| Heavy Atoms | 27 |
| Complexity | 868.05536 |
Chemical Identifiers
| CAS Number | 73225-76-0 |
|---|---|
| SMILES | C1C[N+](CCN1C2CC3=C(C=CC(=C3)Cl)S(=O)C4=CC=CC=C24)(CCO)[O-] |
Product Overview
Docloxythepin N,S-dioxide (CAS 73225-76-0), with molecular formula C20H23ClN2O3S and molecular weight 406.11 g/mol. IUPAC: 2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol.
Chemical Property Profile of Docloxythepin N,S-dioxide
Property Insights of Docloxythepin N,S-dioxide
The XLogP value of 2.7264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Docloxythepin N,S-dioxide. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Docloxythepin N,S-dioxide. Following Lipinski's Rule of Five, Docloxythepin N,S-dioxide has 1 hydrogen bond donor(s) and 4 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 Docloxythepin N,S-dioxide?
The CAS number of Docloxythepin N,S-dioxide is 73225-76-0.
What is the molecular formula of Docloxythepin N,S-dioxide?
The molecular formula of Docloxythepin N,S-dioxide is C20H23ClN2O3S.
What is the molecular weight of Docloxythepin N,S-dioxide?
The molecular weight of Docloxythepin N,S-dioxide is 406.11 g/mol.
Where can I buy Docloxythepin N,S-dioxide?
You can request a quote for Docloxythepin N,S-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Docloxythepin N,S-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Docloxythepin N,S-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.