RefChem:1055871
TL;DR: RefChem:1055871 (CAS 36616-49-6) is a chemical compound with molecular formula C18H22ClNO3S and molecular weight 367.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate chloride
Also Known As: 1-Methyl-3-piperidyl-alpha-(2-thienyl)mandelate hydrochloride, MANDELIC ACID, alpha-(2-THIENYL)-, 1-METHYL-3-PIPERIDYL ESTER, HYDROCHLORIDE, (1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate chloride, (1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetatechloride, (1-Methylpiperidin-1-ium-3-yl)2-hydroxy-2-phenyl-2-thiophen-2-ylacetatechloride
| Molecular Formula | C18H22ClNO3S |
|---|---|
| Molecular Weight | 367.10 g/mol |
| LogP | -1.79 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.1009 |
| Heavy Atoms | 24 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 36616-49-6 |
|---|---|
| SMILES | C[NH+]1CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O.[Cl-] |
| InChIKey | QHFKYIZPFKOCOP-UHFFFAOYSA-N |
Product Overview
RefChem:1055871 (CAS 36616-49-6), with molecular formula C18H22ClNO3S and molecular weight 367.10 g/mol. IUPAC: (1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate chloride.
Chemical Property Profile of RefChem:1055871
Property Insights of RefChem:1055871
The XLogP value of -1.79 indicates that RefChem:1055871 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1055871. Following Lipinski's Rule of Five, RefChem:1055871 has 2 hydrogen bond donor(s) and 5 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:1055871?
The CAS number of RefChem:1055871 is 36616-49-6.
What is the molecular formula of RefChem:1055871?
The molecular formula of RefChem:1055871 is C18H22ClNO3S.
What is the molecular weight of RefChem:1055871?
The molecular weight of RefChem:1055871 is 367.10 g/mol.
Where can I buy RefChem:1055871?
You can request a quote for RefChem:1055871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1055871?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1055871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.