Trimethaphan
TL;DR: Trimethaphan (CAS 7187-66-8) is a chemical compound with molecular formula C22H25N2OS+ and molecular weight 365.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibenzyl-8-thionia-3,5-diazatricyclo[6.3.0.02,6]undecan-4-one
Also Known As: TRIMETHAPHAN, Trimetaphan, Thimethaphan, Trimetaphanum, Trimethaphan ion
| Molecular Formula | C22H25N2OS+ |
|---|---|
| Molecular Weight | 365.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 24.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.16876 |
| Heavy Atoms | 26 |
| Complexity | 514.0 |
| Solubility | 6.65e-03 g/L |
Chemical Identifiers
| CAS Number | 7187-66-8 |
|---|---|
| SMILES | C1CC2C3C(C[S+]2C1)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5 |
| InChIKey | CHQOEHPMXSHGCL-UHFFFAOYSA-N |
Product Overview
Trimethaphan (CAS 7187-66-8), with molecular formula C22H25N2OS+ and molecular weight 365.17 g/mol. IUPAC: 3,5-dibenzyl-8-thionia-3,5-diazatricyclo[6.3.0.02,6]undecan-4-one.
Chemical Property Profile of Trimethaphan
Property Insights of Trimethaphan
The XLogP value of 3.6 indicates that Trimethaphan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.6 Ų, Trimethaphan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethaphan has 0 hydrogen bond donor(s) and 1 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 Trimethaphan?
The CAS number of Trimethaphan is 7187-66-8.
What is the molecular formula of Trimethaphan?
The molecular formula of Trimethaphan is C22H25N2OS+.
What is the molecular weight of Trimethaphan?
The molecular weight of Trimethaphan is 365.17 g/mol.
Where can I buy Trimethaphan?
You can request a quote for Trimethaphan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethaphan?
Yes, KEHONG BIO provides custom synthesis services for Trimethaphan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.