Isotensen
TL;DR: Isotensen (CAS 3426-58-2) is a chemical compound with molecular formula C22H33N3O2 and molecular weight 371.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]azanium dihydroxide
Also Known As: Isotensen, METHINDETHYRIUM, IN 391, 4-(2-(1-Methyl-3-indolyl)ethyl)-1-(3-(trimethylammonio)propyl)pyridinium dichloride, Dichlorure de(trimethylammonium-1 (beta-N-methylindoyl-3'') ethyl-4' pyridinium)-3 propane
| Molecular Formula | C22H33N3O2 |
|---|---|
| Molecular Weight | 371.26 g/mol |
| LogP | 2.99 |
| Topological Polar Surface Area | 10.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.25726 |
| Heavy Atoms | 27 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 3426-58-2 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)CCC3=CC=[N+](C=C3)CCC[N+](C)(C)C.[OH-].[OH-] |
| InChIKey | PVYPYADFVSDQGN-UHFFFAOYSA-L |
Product Overview
Isotensen (CAS 3426-58-2), with molecular formula C22H33N3O2 and molecular weight 371.26 g/mol. IUPAC: trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]azanium dihydroxide.
Chemical Property Profile of Isotensen
Property Insights of Isotensen
The XLogP value of 2.99 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isotensen. With a topological polar surface area (TPSA) of 10.8 Ų, Isotensen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isotensen has 2 hydrogen bond donor(s) and 2 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 Isotensen?
The CAS number of Isotensen is 3426-58-2.
What is the molecular formula of Isotensen?
The molecular formula of Isotensen is C22H33N3O2.
What is the molecular weight of Isotensen?
The molecular weight of Isotensen is 371.26 g/mol.
Where can I buy Isotensen?
You can request a quote for Isotensen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotensen?
Yes, KEHONG BIO provides custom synthesis services for Isotensen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.