RefChem:1049292
TL;DR: RefChem:1049292 (CAS 92956-06-4) is a chemical compound with molecular formula C18H24ClNO3 and molecular weight 337.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-1-ium-4-yl)methyl 2-hydroxy-2-phenylpent-3-ynoate chloride
Also Known As: (1-Methyl-4-piperidyl)methyl phenyl(1-propynyl)glycolate hydrochloride, Mandelic acid, alpha-(1-propynyl)-, (1-methyl-4-piperidyl)methyl ester, hydrochloride, alpha-(1-Propynyl)mandelic acid (1-methyl-4-piperidyl)methyl ester hydrochloride, (1-Methylpiperidin-1-ium-4-yl)methyl 2-hydroxy-2-phenylpent-3-ynoatechloride, (1-methylpiperidin-1-ium-4-yl)methyl 2-hydroxy-2-phenylpent-3-ynoate chloride
| Molecular Formula | C18H24ClNO3 |
|---|---|
| Molecular Weight | 337.14 g/mol |
| LogP | -2.63 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.14447 |
| Heavy Atoms | 23 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 92956-06-4 |
|---|---|
| SMILES | CC#CC(C1=CC=CC=C1)(C(=O)OCC2CC[NH+](CC2)C)O.[Cl-] |
| InChIKey | UJUVWGIKJDOTSI-UHFFFAOYSA-N |
Product Overview
RefChem:1049292 (CAS 92956-06-4), with molecular formula C18H24ClNO3 and molecular weight 337.14 g/mol. IUPAC: (1-methylpiperidin-1-ium-4-yl)methyl 2-hydroxy-2-phenylpent-3-ynoate chloride.
Chemical Property Profile of RefChem:1049292
Property Insights of RefChem:1049292
The XLogP value of -2.63 indicates that RefChem:1049292 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:1049292 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1049292 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
Frequently Asked Questions
What is the CAS number of RefChem:1049292?
The CAS number of RefChem:1049292 is 92956-06-4.
What is the molecular formula of RefChem:1049292?
The molecular formula of RefChem:1049292 is C18H24ClNO3.
What is the molecular weight of RefChem:1049292?
The molecular weight of RefChem:1049292 is 337.14 g/mol.
Where can I buy RefChem:1049292?
You can request a quote for RefChem:1049292 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1049292?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1049292 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.