RefChem:1088816
TL;DR: RefChem:1088816 (CAS 93101-68-9) is a chemical compound with molecular formula C19H26ClNO3 and molecular weight 351.16 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-hydroxy-3-methyl-2-phenylbutanoate chloride
Also Known As: 1-Azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate, Mandelic acid, alpha-isopropyl-, (1-azabicyclo(2.2.2.)oct-2-en-3-yl)methyl ester, hydrochloride, 2-(1-Azabicyclo(2.2.2)oct-2-ene)methyl-alpha-isopropyl-alpha-phenylglycolate hydrochloride, 3-(Azabicyclo(2.2.2)oct-2-ene)methyl alpha-isopropyl-alpha-phenylglycolate hydrochloride, 1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride
| Molecular Formula | C19H26ClNO3 |
|---|---|
| Molecular Weight | 351.16 g/mol |
| LogP | -1.73 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.16013 |
| Heavy Atoms | 24 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 93101-68-9 |
|---|---|
| SMILES | CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=C[NH+]3CCC2CC3)O.[Cl-] |
| InChIKey | FTTUBJQOZZKLCZ-UHFFFAOYSA-N |
Product Overview
RefChem:1088816 (CAS 93101-68-9), with molecular formula C19H26ClNO3 and molecular weight 351.16 g/mol. IUPAC: 1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride.
Chemical Property Profile of RefChem:1088816
Property Insights of RefChem:1088816
The XLogP value of -1.73 indicates that RefChem:1088816 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:1088816 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1088816 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:1088816?
The CAS number of RefChem:1088816 is 93101-68-9.
What is the molecular formula of RefChem:1088816?
The molecular formula of RefChem:1088816 is C19H26ClNO3.
What is the molecular weight of RefChem:1088816?
The molecular weight of RefChem:1088816 is 351.16 g/mol.
Where can I buy RefChem:1088816?
You can request a quote for RefChem:1088816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1088816?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1088816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.