methiothepin
TL;DR: methiothepin (CAS 101395-29-3) is a chemical compound with molecular formula C20H24N2S2 and molecular weight 356.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[(5S)-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
Also Known As: methiothepin, (S)-Methiothepin, (+)-Metitepine, (+)-Methiothepin, Methiothepin; Metitepine
| Molecular Formula | C20H24N2S2 |
|---|---|
| Molecular Weight | 356.14 g/mol |
| LogP | 4.4043 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.1381 |
| Heavy Atoms | 24 |
| Complexity | 723.32886 |
Chemical Identifiers
| CAS Number | 101395-29-3 |
|---|---|
| SMILES | CN1CCN(CC1)[C@H]2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC |
Product Overview
methiothepin (CAS 101395-29-3), with molecular formula C20H24N2S2 and molecular weight 356.14 g/mol. IUPAC: 1-methyl-4-[(5S)-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine.
Chemical Property Profile of methiothepin
Property Insights of methiothepin
The XLogP value of 4.4043 indicates that methiothepin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, methiothepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methiothepin 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 methiothepin?
The CAS number of methiothepin is 101395-29-3.
What is the molecular formula of methiothepin?
The molecular formula of methiothepin is C20H24N2S2.
What is the molecular weight of methiothepin?
The molecular weight of methiothepin is 356.14 g/mol.
Where can I buy methiothepin?
You can request a quote for methiothepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methiothepin?
Yes, KEHONG BIO provides custom synthesis services for methiothepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.