RefChem:318641
TL;DR: RefChem:318641 (CAS 63981-61-3) is a chemical compound with molecular formula C20H31IN2O2 and molecular weight 458.14304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-cyclopentyl-2-(piperidine-1-carbonyloxy)phenyl]-trimethylazanium iodide
Also Known As: 1-Piperidinecarboxylic acid, (4-(trimethylammonio)-3-cyclopentyl)phenyl ester, iodide, Ammonium, ((4-(piperidinocarbonyloxy)-2-cyclopentyl)phenyl)trimethyl-, iodide, Ammonium, ((4-hydroxy-2-cyclopentyl)phenyl)trimethyl-, iodide, 1-piperidinecarboxylate, Carbamic acid, N,N-pentamethylene-, 3-cyclopentyl-4-dimethylaminophenyl ester, methiodide, 5-cyclopentyl-n,n,n-trimethyl-2-[(piperidin-1-ylcarbonyl)oxy]anilinium iodide
Technical Specifications
| Molecular Formula | C20H31IN2O2 |
| Molecular Weight | 458.14304 g/mol |
| XLogP | 1.53 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.14304 Da |
| Heavy Atoms | 25 |
| Complexity | 420.0 |
| SMILES | C[N+](C)(C)C1=C(C=CC(=C1)C2CCCC2)OC(=O)N3CCCCC3.[I-] |
| InChIKey | QEQMJLVNKMDDKB-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:318641
Property Insights of RefChem:318641
The XLogP value of 1.53 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318641. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:318641 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318641 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
What is the CAS number of RefChem:318641?
The CAS number of RefChem:318641 is 63981-61-3.
What is the molecular formula of RefChem:318641?
The molecular formula of RefChem:318641 is C20H31IN2O2.
What is the molecular weight of RefChem:318641?
The molecular weight of RefChem:318641 is 458.14304 g/mol.
Where can I buy RefChem:318641?
You can request a quote for RefChem:318641 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:318641?
Yes, CoreyChem provides custom synthesis services for RefChem:318641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.