RefChem:1049283
TL;DR: RefChem:1049283 (CAS 101710-85-4) is a chemical compound with molecular formula C20H30ClNO3 and molecular weight 367.1914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-methylpiperidin-1-ium-2-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Also Known As: 2-(1-Methylpiperidine)methyl alpha-cyclopentyl-alpha-phenylglycolate hydrochloride, Mandelic acid, alpha-cyclopentyl-, (1-methyl-2-piperidyl) methyl ester, hydrochloride, (1-Methylpiperidin-1-ium-2-yl)methyl2-cyclopentyl-2-hydroxy-2-phenylacetate chloride, 2-({[cyclopentyl(hydroxy)phenylacetyl]oxy}methyl)-1-methylpiperidinium chloride, (1-methylpiperidin-2-yl)methyl2-cyclopentyl-2-hydroxy-2-phenylacetate
Technical Specifications
| Molecular Formula | C20H30ClNO3 |
| Molecular Weight | 367.1914 g/mol |
| XLogP | -1.32 |
| Topological Polar Surface Area (TPSA) | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.1914 Da |
| Heavy Atoms | 25 |
| Complexity | 415.0 |
| SMILES | C[NH+]1CCCCC1COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.[Cl-] |
| InChIKey | NCLMRAWSZYENDH-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1049283
Property Insights of RefChem:1049283
The XLogP value of -1.32 indicates that RefChem:1049283 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.0 Ų, RefChem:1049283 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1049283 has 2 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:1049283?
The CAS number of RefChem:1049283 is 101710-85-4.
What is the molecular formula of RefChem:1049283?
The molecular formula of RefChem:1049283 is C20H30ClNO3.
What is the molecular weight of RefChem:1049283?
The molecular weight of RefChem:1049283 is 367.1914 g/mol.
Where can I buy RefChem:1049283?
You can request a quote for RefChem:1049283 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1049283?
Yes, CoreyChem provides custom synthesis services for RefChem:1049283 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.