![2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol structure](/static/products/7312/73129-62-1.webp)
2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
TL;DR: 2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol (CAS 73129-62-1) is a chemical compound with molecular formula C21H26N2OS and molecular weight 354.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
Also Known As: AE-641/00600027, 2-Methyl-10-[4- piperazino]-10,11-dihydrodibenzo[b,f]thiepin, 2-[4-(2-methyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]ethanol, 2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol, 2-Methyl-10-[4-(2-hydroxyethyl)piperazino]-10,11-dihydrodibenzo[b,f]thiepin
| Molecular Formula | C21H26N2OS |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 3.35332 |
| Topological Polar Surface Area | 26.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.17657 |
| Heavy Atoms | 25 |
| Complexity | 740.42596 |
Chemical Identifiers
| CAS Number | 73129-62-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC3=CC=CC=C3C(C2)N4CCN(CC4)CCO |
Product Overview
2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol (CAS 73129-62-1), with molecular formula C21H26N2OS and molecular weight 354.18 g/mol. IUPAC: 2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol.
Chemical Property Profile of 2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
Property Insights of 2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
The XLogP value of 3.35332 indicates that 2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.71 Ų, 2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol has 1 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 2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol?
The CAS number of 2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol is 73129-62-1.
What is the molecular formula of 2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol?
The molecular formula of 2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol is C21H26N2OS.
What is the molecular weight of 2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol?
The molecular weight of 2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol is 354.18 g/mol.
Where can I buy 2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol?
You can request a quote for 2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(3-Methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.