RefChem:318638
TL;DR: RefChem:318638 (CAS 64046-27-1) is a chemical compound with molecular formula C14H23IN2O3 and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-methoxy-3-(methylcarbamoyloxy)phenyl]ethyl-trimethylazanium iodide
Also Known As: Benzenemethanaminium, 4-methoxy-N,N,N,alpha-tetramethyl-3-(methylamino)carbonyloxy-, iodide, Methylcarbamic ester of alpha-(3-hydroxy-4-methoxyphenyl)ethyltrimethylammonium iodide, Ammonium, ((4-methoxy-3-(methylcarbamoyloxy)-alpha-methyl)benzyl)trimethyl-, iodide, Ammonium, ((3-hydroxy-4-methoxy-alpha-methyl)benzyl)trimethyl-, iodide, methylcarbamate, Carbamic acid, methyl-, (2-methoxy-5-(alpha-(trimethylammonio)ethyl)phenyl) ester, iodide
| Molecular Formula | C14H23IN2O3 |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | -0.82 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.07535 |
| Heavy Atoms | 20 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 64046-27-1 |
|---|---|
| SMILES | CC(C1=CC(=C(C=C1)OC)OC(=O)NC)[N+](C)(C)C.[I-] |
| InChIKey | WOISFDDSLXQGKE-UHFFFAOYSA-N |
Product Overview
RefChem:318638 (CAS 64046-27-1), with molecular formula C14H23IN2O3 and molecular weight 394.08 g/mol. IUPAC: 1-[4-methoxy-3-(methylcarbamoyloxy)phenyl]ethyl-trimethylazanium iodide.
Chemical Property Profile of RefChem:318638
Property Insights of RefChem:318638
The XLogP value of -0.82 indicates that RefChem:318638 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.6 Ų, RefChem:318638 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318638 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 RefChem:318638?
The CAS number of RefChem:318638 is 64046-27-1.
What is the molecular formula of RefChem:318638?
The molecular formula of RefChem:318638 is C14H23IN2O3.
What is the molecular weight of RefChem:318638?
The molecular weight of RefChem:318638 is 394.08 g/mol.
Where can I buy RefChem:318638?
You can request a quote for RefChem:318638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318638?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.