RefChem:318792
TL;DR: RefChem:318792 (CAS 66967-82-6) is a chemical compound with molecular formula C13H21IN2O3 and molecular weight 380.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dimethylcarbamoyloxy)-3-methoxyphenyl]-trimethylazanium iodide
Also Known As: Ro 2-2113, (2-Hydroxy-3-methoxyphenyl)trimethylammonium iodide dimethylcarbamate (ester), [2-(dimethylcarbamoyloxy)-3-methoxyphenyl]-trimethylazanium iodide, Ammonium, (2-hydroxy-3-methoxyphenyl)trimethyl-, iodide, dimethylcarbamate (ester), [2-(dimethylcarbamoyloxy)-3-methoxyphenyl]-trimethylazanium,
| Molecular Formula | C13H21IN2O3 |
|---|---|
| Molecular Weight | 380.06 g/mol |
| LogP | -1.04 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.0597 |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 66967-82-6 |
|---|---|
| SMILES | CN(C)C(=O)OC1=C(C=CC=C1OC)[N+](C)(C)C.[I-] |
| InChIKey | OSCUHEFCIGYHGZ-UHFFFAOYSA-M |
Product Overview
RefChem:318792 (CAS 66967-82-6), with molecular formula C13H21IN2O3 and molecular weight 380.06 g/mol. IUPAC: [2-(dimethylcarbamoyloxy)-3-methoxyphenyl]-trimethylazanium iodide.
Chemical Property Profile of RefChem:318792
Property Insights of RefChem:318792
The XLogP value of -1.04 indicates that RefChem:318792 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.8 Ų, RefChem:318792 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318792 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 RefChem:318792?
The CAS number of RefChem:318792 is 66967-82-6.
What is the molecular formula of RefChem:318792?
The molecular formula of RefChem:318792 is C13H21IN2O3.
What is the molecular weight of RefChem:318792?
The molecular weight of RefChem:318792 is 380.06 g/mol.
Where can I buy RefChem:318792?
You can request a quote for RefChem:318792 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318792?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318792 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.