Gramine methiodide
TL;DR: Gramine methiodide (CAS 5457-31-8) is a chemical compound with molecular formula C12H17IN2 and molecular weight 316.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-indol-3-ylmethyl(trimethyl)azanium iodide
Also Known As: Gramine methiodide, Gramine methiodide [MI], DONAXINE iodomethylate, (3-Indolylmethyl)trimethylammonium iodide, Ammonium, (indol-3-ylmethyl)trimethyl-, iodide
| Molecular Formula | C12H17IN2 |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | -0.6219 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.04364 |
| Heavy Atoms | 15 |
| Complexity | 440.064 |
Chemical Identifiers
| CAS Number | 5457-31-8 |
|---|---|
| SMILES | C[N+](C)(C)CC1=CNC2=CC=CC=C21.[I-] |
Product Overview
Gramine methiodide (CAS 5457-31-8), with molecular formula C12H17IN2 and molecular weight 316.04 g/mol. IUPAC: 1H-indol-3-ylmethyl(trimethyl)azanium iodide.
Chemical Property Profile of Gramine methiodide
Property Insights of Gramine methiodide
The XLogP value of -0.6219 indicates that Gramine methiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 15.79 Ų, Gramine methiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Gramine methiodide has 1 hydrogen bond donor(s) and 0 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 Gramine methiodide?
The CAS number of Gramine methiodide is 5457-31-8.
What is the molecular formula of Gramine methiodide?
The molecular formula of Gramine methiodide is C12H17IN2.
What is the molecular weight of Gramine methiodide?
The molecular weight of Gramine methiodide is 316.04 g/mol.
Where can I buy Gramine methiodide?
You can request a quote for Gramine methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gramine methiodide?
Yes, KEHONG BIO provides custom synthesis services for Gramine methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.