RefChem:332698
TL;DR: RefChem:332698 (CAS 100836-66-6) is a chemical compound with molecular formula C21H35ClN2O3 and molecular weight 398.2336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methylpiperidin-1-ium-1-yl)ethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-methylcarbamate chloride
Also Known As: C 2141, Carbamic acid, N-methyl-N-(1-(3,5-xylyloxy)-2-propyl)-, 2-(2-methylpiperidino)ethyl ester, hydrochloride, N-Methyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester, HCl, 2-(2-Methylpiperidin-1-ium-1-yl)ethyln-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-methylcarbamate chloride, 1-[2-({[1-(3,5-dimethylphenoxy)propan-2-yl](methyl)carbamoyl}oxy)ethyl]-2-methylpiperidinium chloride
Technical Specifications
| Molecular Formula | C21H35ClN2O3 |
| Molecular Weight | 398.2336 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 43.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.2336 Da |
| Heavy Atoms | 27 |
| Complexity | 421.0 |
| SMILES | CC1CCCC[NH+]1CCOC(=O)N(C)C(C)COC2=CC(=CC(=C2)C)C.[Cl-] |
| InChIKey | RSUMDGVFTFUUBA-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:332698
Property Insights of RefChem:332698
The XLogP value of -0.4 indicates that RefChem:332698 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.2 Ų, RefChem:332698 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:332698 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
What is the CAS number of RefChem:332698?
The CAS number of RefChem:332698 is 100836-66-6.
What is the molecular formula of RefChem:332698?
The molecular formula of RefChem:332698 is C21H35ClN2O3.
What is the molecular weight of RefChem:332698?
The molecular weight of RefChem:332698 is 398.2336 g/mol.
Where can I buy RefChem:332698?
You can request a quote for RefChem:332698 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:332698?
Yes, CoreyChem provides custom synthesis services for RefChem:332698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.