RefChem:1088810
TL;DR: RefChem:1088810 (CAS 101710-86-5) 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-4-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Also Known As: alpha-Cyclopentylmandelic acid (1-methyl-4-piperidyl)methyl ester hydrochloride, Mandelic acid, alpha-cyclopentyl-, (1-methyl-4-piperidyl)methyl ester, hydrochloride, 4-(1-Methyl-1,2,3,6-tetrahydropyridine)methyl alpha-cyclopentyl-alpha-phenylglycolate HCl, (1-methylpiperidin-1-ium-4-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride, (1-methylpiperidin-1-ium-4-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate,chloride
Technical Specifications
| Molecular Formula | C20H30ClNO3 |
| Molecular Weight | 367.1914 g/mol |
| XLogP | -1.46 |
| 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 | 407.0 |
| SMILES | C[NH+]1CCC(CC1)COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.[Cl-] |
| InChIKey | SCVMNXJBRXSTTD-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1088810
Property Insights of RefChem:1088810
The XLogP value of -1.46 indicates that RefChem:1088810 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:1088810 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1088810 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:1088810?
The CAS number of RefChem:1088810 is 101710-86-5.
What is the molecular formula of RefChem:1088810?
The molecular formula of RefChem:1088810 is C20H30ClNO3.
What is the molecular weight of RefChem:1088810?
The molecular weight of RefChem:1088810 is 367.1914 g/mol.
Where can I buy RefChem:1088810?
You can request a quote for RefChem:1088810 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1088810?
Yes, CoreyChem provides custom synthesis services for RefChem:1088810 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.