1-Methylphysostigmine
TL;DR: 1-Methylphysostigmine (CAS 121843-39-8) is a chemical compound with molecular formula C16H24N3O2+ and molecular weight 290.18686 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3aR,8bS)-3,3,4,8b-tetramethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl] N-methylcarbamate
Also Known As: 1-Methylphysostigmine, 1-Methyl-phy, [(3aR,8bS)-3,3,4,8b-tetramethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl] N-methylcarbamate, (3aS-cis)-1,2,3,3a,8,8a-Hexahydro-1,1,3a,8-tetramethyl-5-(((methylamino)carbonyl)oxy)pyrrolo(2,3-b)indolium, 1,2,3,3a,8,8a-Hexahydro-1,1,3a,8-tetramethyl-5-(((methylamino)carbonyl)oxy)pyrrolo(2,3-b)indolium (3aS-cis)-
Technical Specifications
| Molecular Formula | C16H24N3O2+ |
| Molecular Weight | 290.18686 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.18686 Da |
| Heavy Atoms | 21 |
| Complexity | 439.0 |
| SMILES | C[C@@]12CC[N+]([C@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)(C)C |
| InChIKey | HVEHGQRVGLFZTA-ZBFHGGJFSA-O |
Chemical Property Profile of 1-Methylphysostigmine
Property Insights of 1-Methylphysostigmine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylphysostigmine. With a topological polar surface area (TPSA) of 41.6 Ų, 1-Methylphysostigmine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylphysostigmine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methylphysostigmine?
The CAS number of 1-Methylphysostigmine is 121843-39-8.
What is the molecular formula of 1-Methylphysostigmine?
The molecular formula of 1-Methylphysostigmine is C16H24N3O2+.
What is the molecular weight of 1-Methylphysostigmine?
The molecular weight of 1-Methylphysostigmine is 290.18686 g/mol.
Where can I buy 1-Methylphysostigmine?
You can request a quote for 1-Methylphysostigmine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methylphysostigmine?
Yes, CoreyChem provides custom synthesis services for 1-Methylphysostigmine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.