Oxyclothepin N-oxide dihydrochloride
TL;DR: Oxyclothepin N-oxide dihydrochloride (CAS 37730-33-9) is a chemical compound with molecular formula C21H27Cl3N2O2S and molecular weight 476.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol;dihydrochloride
Also Known As: Oxyclothepin N-oxide dihydrochloride, 4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide 2HCl, 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, 1-oxide, dihydrochloride, 3-[4-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-oxidopiperazin-1-yl]propan-1-ol dihydrochloride, 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-, 1-oxide, dihydrochloride
| Molecular Formula | C21H27Cl3N2O2S |
|---|---|
| Molecular Weight | 476.09 g/mol |
| LogP | 4.9446 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.08588 |
| Heavy Atoms | 29 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 37730-33-9 |
|---|---|
| SMILES | C1C[N+](CCN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)(CCCO)[O-].Cl.Cl |
| InChIKey | CYCWFIBOOALSDS-UHFFFAOYSA-N |
Product Overview
Oxyclothepin N-oxide dihydrochloride (CAS 37730-33-9), with molecular formula C21H27Cl3N2O2S and molecular weight 476.09 g/mol. IUPAC: 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol;dihydrochloride.
Chemical Property Profile of Oxyclothepin N-oxide dihydrochloride
Property Insights of Oxyclothepin N-oxide dihydrochloride
The XLogP value of 4.9446 indicates that Oxyclothepin N-oxide dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxyclothepin N-oxide dihydrochloride. Following Lipinski's Rule of Five, Oxyclothepin N-oxide dihydrochloride has 3 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 Oxyclothepin N-oxide dihydrochloride?
The CAS number of Oxyclothepin N-oxide dihydrochloride is 37730-33-9.
What is the molecular formula of Oxyclothepin N-oxide dihydrochloride?
The molecular formula of Oxyclothepin N-oxide dihydrochloride is C21H27Cl3N2O2S.
What is the molecular weight of Oxyclothepin N-oxide dihydrochloride?
The molecular weight of Oxyclothepin N-oxide dihydrochloride is 476.09 g/mol.
Where can I buy Oxyclothepin N-oxide dihydrochloride?
You can request a quote for Oxyclothepin N-oxide dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxyclothepin N-oxide dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Oxyclothepin N-oxide dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.