![1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine structure](/static/products/1990/19905-13-6.webp)
1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine
TL;DR: 1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (CAS 19905-13-6) 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.
3-chloro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
Also Known As: 1-(8-chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine, AE-641/00602027, 3-chloro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
| Molecular Formula | C19H21ClN2OS |
|---|---|
| Molecular Weight | 360.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 360.10632 |
| Heavy Atoms | 24 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 19905-13-6 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl |
| InChIKey | HEMMOYWLEKLVJE-UHFFFAOYSA-N |
Product Overview
1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (CAS 19905-13-6), with molecular formula C19H21ClN2OS and molecular weight 360.11 g/mol. IUPAC: 3-chloro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide.
Chemical Property Profile of 1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine
Property Insights of 1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine
The XLogP value of 3.0 indicates that 1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.8 Ų, 1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine has 0 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 1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine?
The CAS number of 1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine is 19905-13-6.
What is the molecular formula of 1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine?
The molecular formula of 1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine is C19H21ClN2OS.
What is the molecular weight of 1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine?
The molecular weight of 1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine is 360.11 g/mol.
Where can I buy 1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine?
You can request a quote for 1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(8-Chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.