Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride
TL;DR: Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride (CAS 80381-21-1) is a chemical compound with molecular formula C17H24ClNO2 and molecular weight 309.15 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-phenylbutanoate chloride
Also Known As: 2-Phenylbutyric acid 3-quinuclidinyl ester hydrochloride, BUTYRIC ACID, 2-PHENYL-, 3-QUINUCLIDINYL ESTER, MONOHYDROCHLORIDE, 1-azabicyclo[2.2.2]oct-3-yl 2-phenylbutanoate hydrochloride, 1-azoniabicyclo[2.2.2]octan-3-yl 2-phenylbutanoate chloride, 1-azoniabicyclo[2.2.2]octan-3-yl 2-phenylbutanoate,chloride
| Molecular Formula | C17H24ClNO2 |
|---|---|
| Molecular Weight | 309.15 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.14957 |
| Heavy Atoms | 21 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 80381-21-1 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)OC2C[NH+]3CCC2CC3.[Cl-] |
| InChIKey | QLDOORIMSHRBPP-UHFFFAOYSA-N |
Product Overview
Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride (CAS 80381-21-1), with molecular formula C17H24ClNO2 and molecular weight 309.15 g/mol. IUPAC: 1-azoniabicyclo[2.2.2]octan-3-yl 2-phenylbutanoate chloride.
Chemical Property Profile of Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride
Property Insights of Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride
The XLogP value of -1.6 indicates that Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride has 1 hydrogen bond donor(s) and 3 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 Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride?
The CAS number of Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride is 80381-21-1.
What is the molecular formula of Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride?
The molecular formula of Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride is C17H24ClNO2.
What is the molecular weight of Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride?
The molecular weight of Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride is 309.15 g/mol.
Where can I buy Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride?
You can request a quote for Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.