![1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride structure](/static/products/1007/100700-30-9.webp)
1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride
TL;DR: 1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride (CAS 100700-30-9) is a chemical compound with molecular formula C18H26ClNO3 and molecular weight 339.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride
Also Known As: 2-(Hydroxymethyl)-2-phenylbutyric acid 3-quinuclidinyl ester hydrochloride, BUTYRIC ACID, 2-(HYDROXYMETHYL)-2-PHENYL-, 3-QUINUCLIDINYL ESTER, HYDROCHLORIDE, 1-azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride, 3-{[2-(hydroxymethyl)-2-phenylbutanoyl]oxy}-1-azoniabicyclo[2.2.2]octane chloride
| Molecular Formula | C18H26ClNO3 |
|---|---|
| Molecular Weight | 339.16 g/mol |
| LogP | -2.45 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.16013 |
| Heavy Atoms | 23 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 100700-30-9 |
|---|---|
| SMILES | CCC(CO)(C1=CC=CC=C1)C(=O)OC2C[NH+]3CCC2CC3.[Cl-] |
| InChIKey | VHUWXSHTUWIYBB-UHFFFAOYSA-N |
Product Overview
1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride (CAS 100700-30-9), with molecular formula C18H26ClNO3 and molecular weight 339.16 g/mol. IUPAC: 1-azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride.
Chemical Property Profile of 1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride
Property Insights of 1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride
The XLogP value of -2.45 indicates that 1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride 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, 1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride 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 1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride?
The CAS number of 1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride is 100700-30-9.
What is the molecular formula of 1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride?
The molecular formula of 1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride is C18H26ClNO3.
What is the molecular weight of 1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride?
The molecular weight of 1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride is 339.16 g/mol.
Where can I buy 1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride?
You can request a quote for 1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Azoniabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-2-phenylbutanoate chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.