Octoclothepin N-oxide hydrochloride
TL;DR: Octoclothepin N-oxide hydrochloride (CAS 37734-45-5) is a chemical compound with molecular formula C19H22Cl2N2OS and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium;hydrochloride
Also Known As: Octoclothepin N-oxide HCl, Octoclothepin N-oxide hydrochloride, 8-Chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin N-oxide hydrochloride, 4-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-methylpiperazine 1-oxide hydrochloride(1:1), Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, 4-oxide, monohydrochloride
| Molecular Formula | C19H22Cl2N2OS |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 4.7702 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 396.08298 |
| Heavy Atoms | 25 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 37734-45-5 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)[O-].Cl |
| InChIKey | BDKCFOARQOUQDQ-UHFFFAOYSA-N |
Product Overview
Octoclothepin N-oxide hydrochloride (CAS 37734-45-5), with molecular formula C19H22Cl2N2OS and molecular weight 396.08 g/mol. IUPAC: 4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium;hydrochloride.
Chemical Property Profile of Octoclothepin N-oxide hydrochloride
Property Insights of Octoclothepin N-oxide hydrochloride
The XLogP value of 4.7702 indicates that Octoclothepin N-oxide hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, Octoclothepin N-oxide hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octoclothepin N-oxide hydrochloride has 1 hydrogen bond donor(s) and 3 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 Octoclothepin N-oxide hydrochloride?
The CAS number of Octoclothepin N-oxide hydrochloride is 37734-45-5.
What is the molecular formula of Octoclothepin N-oxide hydrochloride?
The molecular formula of Octoclothepin N-oxide hydrochloride is C19H22Cl2N2OS.
What is the molecular weight of Octoclothepin N-oxide hydrochloride?
The molecular weight of Octoclothepin N-oxide hydrochloride is 396.08 g/mol.
Where can I buy Octoclothepin N-oxide hydrochloride?
You can request a quote for Octoclothepin N-oxide hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octoclothepin N-oxide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Octoclothepin N-oxide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.