RefChem:1088812
TL;DR: RefChem:1088812 (CAS 101710-88-7) is a chemical compound with molecular formula C21H30ClNO3 and molecular weight 379.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)ethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Also Known As: alpha-Cyclopentylmandelic acid 2-(1-methyl-1,2,3,6-tetrahydro-4-pyridyl)ethyl ester HCl, Mandelic acid, alpha-cyclopentyl-, 2-(1-methyl-1,2,3,6-tetrahydro-4-pyridyl)ethyl ester, hydrochloride, 2-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)ethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate;chloride, 2-(1-methyl-5,6-dihydro-2H-pyridin-4-yl)ethyl 2-cyclopentyl-2-hydroxy- 2-phenyl-acetate chloride, 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl2-cyclopentyl-2-hydroxy-2-phenylacetate
| Molecular Formula | C21H30ClNO3 |
|---|---|
| Molecular Weight | 379.19 g/mol |
| LogP | -1.15 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.1914 |
| Heavy Atoms | 26 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 101710-88-7 |
|---|---|
| SMILES | C[NH+]1CCC(=CC1)CCOC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.[Cl-] |
| InChIKey | UGBNZJIOJOHWSG-UHFFFAOYSA-N |
Product Overview
RefChem:1088812 (CAS 101710-88-7), with molecular formula C21H30ClNO3 and molecular weight 379.19 g/mol. IUPAC: 2-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)ethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride.
Chemical Property Profile of RefChem:1088812
Property Insights of RefChem:1088812
The XLogP value of -1.15 indicates that RefChem:1088812 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:1088812 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1088812 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:1088812?
The CAS number of RefChem:1088812 is 101710-88-7.
What is the molecular formula of RefChem:1088812?
The molecular formula of RefChem:1088812 is C21H30ClNO3.
What is the molecular weight of RefChem:1088812?
The molecular weight of RefChem:1088812 is 379.19 g/mol.
Where can I buy RefChem:1088812?
You can request a quote for RefChem:1088812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1088812?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1088812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.