RefChem:375231
TL;DR: RefChem:375231 (CAS 10081-19-3) is a chemical compound with molecular formula C23H28ClNO3 and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]octan-3-yl 3-(4-methoxyphenyl)-2-phenylpropanoate;hydrochloride
Also Known As: 3-(p-Methoxyphenyl)-2-phenylpropionic acid 3-quinuclidinyl ester hydrochloride, Propionic acid, 3-(p-methoxyphenyl)-2-phenyl-, 3-quinuclidinyl ester, hydrochloride, 1-azabicyclo[2.2.2]octan-3-yl 3-(4-methoxyphenyl)-2-phenylpropanoate hydrochloride, 1-Azabicyclo[2.2.2]octan-3-yl 3-(4-methoxyphenyl)-2-phenylpropanoate--hydrogen chloride (1/1), RefChem:375231
| Molecular Formula | C23H28ClNO3 |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 4.0807 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.17578 |
| Heavy Atoms | 28 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 10081-19-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4.Cl |
| InChIKey | XNOQNHQQESXMIH-UHFFFAOYSA-N |
Product Overview
RefChem:375231 (CAS 10081-19-3), with molecular formula C23H28ClNO3 and molecular weight 401.18 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 3-(4-methoxyphenyl)-2-phenylpropanoate;hydrochloride.
Chemical Property Profile of RefChem:375231
Property Insights of RefChem:375231
The XLogP value of 4.0807 indicates that RefChem:375231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, RefChem:375231 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:375231 has 1 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:375231?
The CAS number of RefChem:375231 is 10081-19-3.
What is the molecular formula of RefChem:375231?
The molecular formula of RefChem:375231 is C23H28ClNO3.
What is the molecular weight of RefChem:375231?
The molecular weight of RefChem:375231 is 401.18 g/mol.
Where can I buy RefChem:375231?
You can request a quote for RefChem:375231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:375231?
Yes, KEHONG BIO provides custom synthesis services for RefChem:375231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.