Ajmalinium, N-methyl-, iodide
TL;DR: Ajmalinium, N-methyl-, iodide (CAS 5286-70-4) is a chemical compound with molecular formula C18H16FN2OS+ and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-1-thiophen-2-ylethanone
Also Known As: Ajmalinium, N-methyl-, iodide, 3-(4-fluorophenyl)-1-[2-oxo-2-(thiophen-2-yl)ethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium, Ajmalan-17,21-diol, (17R,21.alpha.)-, compd. with iodomethane (1:1), 2-[3-(4-fluorophenyl)(1-pyrrolino[2,1-b]imidazolyl)]-1-(2-thienyl)ethan-1-one, 2-[3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-1-thiophen-2-ylethanone
| Molecular Formula | C18H16FN2OS+ |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 3.4723 |
| Topological Polar Surface Area | 25.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.09674 |
| Heavy Atoms | 23 |
| Complexity | 850.0364 |
Chemical Identifiers
| CAS Number | 5286-70-4 |
|---|---|
| SMILES | C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)F)CC(=O)C4=CC=CS4 |
Product Overview
Ajmalinium, N-methyl-, iodide (CAS 5286-70-4), with molecular formula C18H16FN2OS+ and molecular weight 327.10 g/mol. IUPAC: 2-[3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-1-thiophen-2-ylethanone.
Chemical Property Profile of Ajmalinium, N-methyl-, iodide
Property Insights of Ajmalinium, N-methyl-, iodide
The XLogP value of 3.4723 indicates that Ajmalinium, N-methyl-, iodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.88 Ų, Ajmalinium, N-methyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ajmalinium, N-methyl-, iodide has 0 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 Ajmalinium, N-methyl-, iodide?
The CAS number of Ajmalinium, N-methyl-, iodide is 5286-70-4.
What is the molecular formula of Ajmalinium, N-methyl-, iodide?
The molecular formula of Ajmalinium, N-methyl-, iodide is C18H16FN2OS+.
What is the molecular weight of Ajmalinium, N-methyl-, iodide?
The molecular weight of Ajmalinium, N-methyl-, iodide is 327.10 g/mol.
Where can I buy Ajmalinium, N-methyl-, iodide?
You can request a quote for Ajmalinium, N-methyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ajmalinium, N-methyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Ajmalinium, N-methyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.