10-(4-Methylpiperazino)dibenzo(b,f)thiepin
TL;DR: 10-(4-Methylpiperazino)dibenzo(b,f)thiepin (CAS 22012-13-1) is a chemical compound with molecular formula C19H20N2S and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzo[b][1]benzothiepin-5-yl-4-methylpiperazine
Also Known As: Sid 759945, 10-(4-Methylpiperazino)dibenzo(b,f)thiepin, 1-benzo[b][1]benzothiepin-5-yl-4-methylpiperazine, 1-dibenzo[b,f]thiepin-10-yl-4-methylpiperazine, Piperazine, 1-dibenzo(b,f)thiepin-10-yl-4-methyl-
| Molecular Formula | C19H20N2S |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 31.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.1347 |
| Heavy Atoms | 22 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 22012-13-1 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=CC=CC=C42 |
| InChIKey | DZFJHCPPSOWCCB-UHFFFAOYSA-N |
Product Overview
10-(4-Methylpiperazino)dibenzo(b,f)thiepin (CAS 22012-13-1), with molecular formula C19H20N2S and molecular weight 308.13 g/mol. IUPAC: 1-benzo[b][1]benzothiepin-5-yl-4-methylpiperazine.
Chemical Property Profile of 10-(4-Methylpiperazino)dibenzo(b,f)thiepin
Property Insights of 10-(4-Methylpiperazino)dibenzo(b,f)thiepin
The XLogP value of 4.1 indicates that 10-(4-Methylpiperazino)dibenzo(b,f)thiepin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.8 Ų, 10-(4-Methylpiperazino)dibenzo(b,f)thiepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-(4-Methylpiperazino)dibenzo(b,f)thiepin 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 10-(4-Methylpiperazino)dibenzo(b,f)thiepin?
The CAS number of 10-(4-Methylpiperazino)dibenzo(b,f)thiepin is 22012-13-1.
What is the molecular formula of 10-(4-Methylpiperazino)dibenzo(b,f)thiepin?
The molecular formula of 10-(4-Methylpiperazino)dibenzo(b,f)thiepin is C19H20N2S.
What is the molecular weight of 10-(4-Methylpiperazino)dibenzo(b,f)thiepin?
The molecular weight of 10-(4-Methylpiperazino)dibenzo(b,f)thiepin is 308.13 g/mol.
Where can I buy 10-(4-Methylpiperazino)dibenzo(b,f)thiepin?
You can request a quote for 10-(4-Methylpiperazino)dibenzo(b,f)thiepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-(4-Methylpiperazino)dibenzo(b,f)thiepin?
Yes, KEHONG BIO provides custom synthesis services for 10-(4-Methylpiperazino)dibenzo(b,f)thiepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.