octoclothepine-N-oxide
TL;DR: octoclothepine-N-oxide (CAS 96386-05-9) is a chemical compound with molecular formula C19H21ClN2OS and molecular weight 360.11 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
Also Known As: Clotepin-N-oxide, Octoclothepine-N-oxide, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, 4-oxide, Piperazine,1-(8-chloro-10,11-dihydrodibenzo -4-methyl-,4-oxide, 4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium
| Molecular Formula | C19H21ClN2OS |
|---|---|
| Molecular Weight | 360.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 360.10632 |
| Heavy Atoms | 24 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 96386-05-9 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)[O-] |
| InChIKey | CJKJEPBXTDYWHH-UHFFFAOYSA-N |
Product Overview
octoclothepine-N-oxide (CAS 96386-05-9), with molecular formula C19H21ClN2OS and molecular weight 360.11 g/mol. IUPAC: 4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium.
Chemical Property Profile of octoclothepine-N-oxide
Property Insights of octoclothepine-N-oxide
The XLogP value of 3.8 indicates that octoclothepine-N-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, octoclothepine-N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, octoclothepine-N-oxide has 0 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 octoclothepine-N-oxide?
The CAS number of octoclothepine-N-oxide is 96386-05-9.
What is the molecular formula of octoclothepine-N-oxide?
The molecular formula of octoclothepine-N-oxide is C19H21ClN2OS.
What is the molecular weight of octoclothepine-N-oxide?
The molecular weight of octoclothepine-N-oxide is 360.11 g/mol.
Where can I buy octoclothepine-N-oxide?
You can request a quote for octoclothepine-N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for octoclothepine-N-oxide?
Yes, KEHONG BIO provides custom synthesis services for octoclothepine-N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.