Methoxycarbonylcholine
TL;DR: Methoxycarbonylcholine (CAS 72704-51-9) is a chemical compound with molecular formula C7H16INO3 and molecular weight 289.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxycarbonyloxyethyl(trimethyl)azanium iodide
Also Known As: Methoxycarbonylcholine, Methoxycarbonylcholine iodide, Methoxycarbonylcholine picrate salt, 2-methoxycarbonyloxyethyl(trimethyl)azanium;iodide, 2-methoxycarbonyloxyethyl(trimethyl)azanium iodide
| Molecular Formula | C7H16INO3 |
|---|---|
| Molecular Weight | 289.02 g/mol |
| LogP | -2.5204 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.0175 |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 72704-51-9 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)OC.[I-] |
| InChIKey | GCSBRXXEHVTADB-UHFFFAOYSA-M |
Product Overview
Methoxycarbonylcholine (CAS 72704-51-9), with molecular formula C7H16INO3 and molecular weight 289.02 g/mol. IUPAC: 2-methoxycarbonyloxyethyl(trimethyl)azanium iodide.
Chemical Property Profile of Methoxycarbonylcholine
Property Insights of Methoxycarbonylcholine
The XLogP value of -2.5204 indicates that Methoxycarbonylcholine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.5 Ų, Methoxycarbonylcholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methoxycarbonylcholine has 0 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 Methoxycarbonylcholine?
The CAS number of Methoxycarbonylcholine is 72704-51-9.
What is the molecular formula of Methoxycarbonylcholine?
The molecular formula of Methoxycarbonylcholine is C7H16INO3.
What is the molecular weight of Methoxycarbonylcholine?
The molecular weight of Methoxycarbonylcholine is 289.02 g/mol.
Where can I buy Methoxycarbonylcholine?
You can request a quote for Methoxycarbonylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methoxycarbonylcholine?
Yes, KEHONG BIO provides custom synthesis services for Methoxycarbonylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.