RefChem:351920
TL;DR: RefChem:351920 (CAS 101710-75-2) is a chemical compound with molecular formula C21H28ClNO3 and molecular weight 377.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Also Known As: Mandelic acid, alpha-cyclopentyl-, (1-azabicyclo(2.2.2)oct-2-en-3-yl)methyl ester, hydrochloride, 3-(1-Azabicyclo(2.2.2)oct-2-ene)methyl alpha-cyclopentyl-alpha-phenylglycolate hydrochloride, 1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride, RefChem:351920
| Molecular Formula | C21H28ClNO3 |
|---|---|
| Molecular Weight | 377.18 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.17578 |
| Heavy Atoms | 26 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 101710-75-2 |
|---|---|
| SMILES | C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OCC3=C[NH+]4CCC3CC4)O.[Cl-] |
| InChIKey | QYGXJQLHENVCKH-UHFFFAOYSA-N |
Product Overview
RefChem:351920 (CAS 101710-75-2), with molecular formula C21H28ClNO3 and molecular weight 377.18 g/mol. IUPAC: 1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride.
Chemical Property Profile of RefChem:351920
Property Insights of RefChem:351920
The XLogP value of -1.2 indicates that RefChem:351920 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:351920 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:351920 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:351920?
The CAS number of RefChem:351920 is 101710-75-2.
What is the molecular formula of RefChem:351920?
The molecular formula of RefChem:351920 is C21H28ClNO3.
What is the molecular weight of RefChem:351920?
The molecular weight of RefChem:351920 is 377.18 g/mol.
Where can I buy RefChem:351920?
You can request a quote for RefChem:351920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:351920?
Yes, KEHONG BIO provides custom synthesis services for RefChem:351920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.