甲硫噻平
TL;DR: 甲硫噻平 (CAS 20229-30-5) 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.
甲硫噻平
1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: methiothepin, Metitepine, Methiothepine, Metitepina, Metitepinum
| Molecular Formula | C20H24N2S2 |
|---|---|
| Molecular Weight | 356.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.1381 |
| Heavy Atoms | 24 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 20229-30-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC |
| InChIKey | RLJFTICUTYVZDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲硫噻平 (CAS 20229-30-5), with molecular formula C20H24N2S2 and molecular weight 356.14 g/mol. IUPAC: 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
Chemical Property Profile of 甲硫噻平
Property Insights of 甲硫噻平
The XLogP value of 4.2 indicates that 甲硫噻平 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.1 Ų, 甲硫噻平 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲硫噻平 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 甲硫噻平?
The CAS number of 甲硫噻平 is 20229-30-5.
What is the molecular formula of 甲硫噻平?
The molecular formula of 甲硫噻平 is C20H24N2S2.
What is the molecular weight of 甲硫噻平?
The molecular weight of 甲硫噻平 is 356.14 g/mol.
Where can I buy 甲硫噻平?
You can request a quote for 甲硫噻平 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲硫噻平?
Yes, KEHONG BIO provides custom synthesis services for 甲硫噻平 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.