RefChem:1049667
TL;DR: RefChem:1049667 (CAS 63981-88-4) is a chemical compound with molecular formula C11H16ClIN2O2 and molecular weight 369.9945 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-chloro-3-(methylcarbamoyloxy)phenyl]-trimethylazanium iodide
Also Known As: NIOSH/BP5275000, T-1800, Carbamic acid, methyl-, (2-chloro-5-(trimethylammonio)phenyl) ester, iodide, [4-chloro-3-(methylcarbamoyloxy)phenyl]-trimethylazanium iodide, Ammonium, ((4-chloro-3-methylcarbamoyloxy)phenyl)trimethyl-, iodide
Technical Specifications
| Molecular Formula | C11H16ClIN2O2 |
| Molecular Weight | 369.9945 g/mol |
| XLogP | -0.74 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.9945 Da |
| Heavy Atoms | 17 |
| Complexity | 253.0 |
| SMILES | CNC(=O)OC1=C(C=CC(=C1)[N+](C)(C)C)Cl.[I-] |
| InChIKey | SPLLMWUMIKAOIJ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1049667
Property Insights of RefChem:1049667
The XLogP value of -0.74 indicates that RefChem:1049667 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.3 Ų, RefChem:1049667 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1049667 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1049667?
The CAS number of RefChem:1049667 is 63981-88-4.
What is the molecular formula of RefChem:1049667?
The molecular formula of RefChem:1049667 is C11H16ClIN2O2.
What is the molecular weight of RefChem:1049667?
The molecular weight of RefChem:1049667 is 369.9945 g/mol.
Where can I buy RefChem:1049667?
You can request a quote for RefChem:1049667 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1049667?
Yes, CoreyChem provides custom synthesis services for RefChem:1049667 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.