RefChem:1049680
TL;DR: RefChem:1049680 (CAS 63981-58-8) is a chemical compound with molecular formula C17H27IN2O2 and molecular weight 418.11172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-cyclohexyl-3-(methylcarbamoyloxy)phenyl]-trimethylazanium iodide
Also Known As: NIOSH/BP5782000, T-1778, Carbamic acid, methyl-, (2-cyclohexyl-5-(trimethylammonio)phenyl) ester, iodide, [4-cyclohexyl-3-(methylcarbamoyloxy)phenyl]-trimethylazanium iodide, Ammonium, ((4-cyclohexyl-3-methylcarbamoyloxy)phenyl)trimethyl-, iodide
Technical Specifications
| Molecular Formula | C17H27IN2O2 |
| Molecular Weight | 418.11172 g/mol |
| XLogP | 0.65 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.11172 Da |
| Heavy Atoms | 22 |
| Complexity | 345.0 |
| SMILES | CNC(=O)OC1=C(C=CC(=C1)[N+](C)(C)C)C2CCCCC2.[I-] |
| InChIKey | BHJWUKSYUZOZQQ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1049680
Property Insights of RefChem:1049680
The XLogP value of 0.65 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1049680. With a topological polar surface area (TPSA) of 38.3 Ų, RefChem:1049680 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1049680 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:1049680?
The CAS number of RefChem:1049680 is 63981-58-8.
What is the molecular formula of RefChem:1049680?
The molecular formula of RefChem:1049680 is C17H27IN2O2.
What is the molecular weight of RefChem:1049680?
The molecular weight of RefChem:1049680 is 418.11172 g/mol.
Where can I buy RefChem:1049680?
You can request a quote for RefChem:1049680 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1049680?
Yes, CoreyChem provides custom synthesis services for RefChem:1049680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.