1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride
TL;DR: 1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride (CAS 106800-97-9) is a chemical compound with molecular formula C22H27ClN2S and molecular weight 386.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-4-methylpiperazine;hydrochloride
Also Known As: 1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride, Piperazine, 1-(3-dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methyl-, hydrochloride, 1-[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-4-methylpiperazine hydrochloride
| Molecular Formula | C22H27ClN2S |
|---|---|
| Molecular Weight | 386.16 g/mol |
| LogP | 4.7833 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.15836 |
| Heavy Atoms | 26 |
| Complexity | 716.7425 |
Chemical Identifiers
| CAS Number | 106800-97-9 |
|---|---|
| SMILES | CN1CCN(CC1)CC/C=C/2\C3=CC=CC=C3CSC4=CC=CC=C42.Cl |
Product Overview
1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride (CAS 106800-97-9), with molecular formula C22H27ClN2S and molecular weight 386.16 g/mol. IUPAC: 1-[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-4-methylpiperazine;hydrochloride.
Chemical Property Profile of 1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride
Property Insights of 1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride
The XLogP value of 4.7833 indicates that 1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, 1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride 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 1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride?
The CAS number of 1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride is 106800-97-9.
What is the molecular formula of 1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride?
The molecular formula of 1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride is C22H27ClN2S.
What is the molecular weight of 1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride?
The molecular weight of 1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride is 386.16 g/mol.
Where can I buy 1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride?
You can request a quote for 1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Dibenzo(b,e)thiepin-6(11H)-ylidenepropyl)-4-methylpiperazine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.