Physostigmine methiodide
TL;DR: Physostigmine methiodide (CAS 6091-11-8) is a chemical compound with molecular formula C16H24IN3O2 and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,8bS)-3,4,4,8b-tetramethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-ium-7-yl] N-methylcarbamate iodide
Also Known As: Physostigmine methiodide, Physostigmine, methiodide, [(3aR,8bS)-3,4,4,8b-tetramethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-ium-7-yl] N-methylcarbamate;iodide, Pyrrolo(2,3-b)indolium, 1,2,3,3a,8,8a-hexahydro-1,1,3a,8(or 1,3a,8,8)-tetramethyl-5-(((methylamino)carbonyl)oxy)-, iodide, (3aS-cis)-, [(3aR,8bS)-3,4,4,8b-tetramethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-ium-7-yl] N-methylcarbamate iodide
| Molecular Formula | C16H24IN3O2 |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | -1.09 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.0913 |
| Heavy Atoms | 22 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 6091-11-8 |
|---|---|
| SMILES | C[C@@]12CCN([C@@H]1[N+](C3=C2C=C(C=C3)OC(=O)NC)(C)C)C.[I-] |
| InChIKey | SLSBBKOEHGUBBZ-XMZRARIVSA-N |
Product Overview
Physostigmine methiodide (CAS 6091-11-8), with molecular formula C16H24IN3O2 and molecular weight 417.09 g/mol. IUPAC: [(3aR,8bS)-3,4,4,8b-tetramethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-ium-7-yl] N-methylcarbamate iodide.
Chemical Property Profile of Physostigmine methiodide
Property Insights of Physostigmine methiodide
The XLogP value of -1.09 indicates that Physostigmine methiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.6 Ų, Physostigmine methiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Physostigmine methiodide has 1 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 Physostigmine methiodide?
The CAS number of Physostigmine methiodide is 6091-11-8.
What is the molecular formula of Physostigmine methiodide?
The molecular formula of Physostigmine methiodide is C16H24IN3O2.
What is the molecular weight of Physostigmine methiodide?
The molecular weight of Physostigmine methiodide is 417.09 g/mol.
Where can I buy Physostigmine methiodide?
You can request a quote for Physostigmine methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Physostigmine methiodide?
Yes, KEHONG BIO provides custom synthesis services for Physostigmine methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.