RefChem:318662
TL;DR: RefChem:318662 (CAS 64046-36-2) is a chemical compound with molecular formula C16H25IN2O2 and molecular weight 404.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-methyl-5-(piperidine-1-carbonyloxy)phenyl]azanium iodide
Also Known As: 1-Piperidinecarboxylic acid, 3-(trimethylammonio)-p-tolyl ester, iodide, Ammonium, ((2-methyl-5-piperidinocarbonyloxy)phenyl)trimethyl-, iodide, Ammonium, ((5-hydroxy-2-methyl)phenyl)trimethyl-, iodide, 1-piperidinecarboxylate, Carbamic acid, N,N-pentamethylene-, 4-methyl-3-dimethylaminophenyl ester, methiodide, N,N,N,2-Tetramethyl-5-[(piperidine-1-carbonyl)oxy]anilinium iodide
| Molecular Formula | C16H25IN2O2 |
|---|---|
| Molecular Weight | 404.10 g/mol |
| LogP | 0.18 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.09607 |
| Heavy Atoms | 21 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 64046-36-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC(=O)N2CCCCC2)[N+](C)(C)C.[I-] |
| InChIKey | VPQFNWKIZHYQOF-UHFFFAOYSA-M |
Product Overview
RefChem:318662 (CAS 64046-36-2), with molecular formula C16H25IN2O2 and molecular weight 404.10 g/mol. IUPAC: trimethyl-[2-methyl-5-(piperidine-1-carbonyloxy)phenyl]azanium iodide.
Chemical Property Profile of RefChem:318662
Property Insights of RefChem:318662
The XLogP value of 0.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318662. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:318662 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318662 has 0 hydrogen bond donor(s) and 3 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:318662?
The CAS number of RefChem:318662 is 64046-36-2.
What is the molecular formula of RefChem:318662?
The molecular formula of RefChem:318662 is C16H25IN2O2.
What is the molecular weight of RefChem:318662?
The molecular weight of RefChem:318662 is 404.10 g/mol.
Where can I buy RefChem:318662?
You can request a quote for RefChem:318662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318662?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.