RefChem:324325
TL;DR: RefChem:324325 (CAS 63716-95-0) is a chemical compound with molecular formula C21H25ClN2O2 and molecular weight 372.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-amino-1-azabicyclo[2.2.2]octan-3-yl) 2,2-diphenylacetate;hydrochloride
Also Known As: Ro 2-3911, alpha-Phenylbenzeneacetic acid 3-amino-1-azabicyclo(2.2.2)oct-3-yl ester hydrochloride, 3-amino-1-azabicyclo[2.2.2]oct-3-yl diphenylacetate hydrochloride(1:1), Benzeneacetic acid, alpha-phenyl-, 3-amino-1-azabicyclo(2.2.2)oct-3-yl ester, hydrochloride, (3-amino-1-azabicyclo[2.2.2]octan-3-yl) 2,2-diphenylacetate hydrochloride
| Molecular Formula | C21H25ClN2O2 |
|---|---|
| Molecular Weight | 372.16 g/mol |
| LogP | 3.16 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.16046 |
| Heavy Atoms | 26 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 63716-95-0 |
|---|---|
| SMILES | C1CN2CCC1C(C2)(N)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl |
| InChIKey | DTPYPFHINYYSCC-UHFFFAOYSA-N |
Product Overview
RefChem:324325 (CAS 63716-95-0), with molecular formula C21H25ClN2O2 and molecular weight 372.16 g/mol. IUPAC: (3-amino-1-azabicyclo[2.2.2]octan-3-yl) 2,2-diphenylacetate;hydrochloride.
Chemical Property Profile of RefChem:324325
Property Insights of RefChem:324325
The XLogP value of 3.16 indicates that RefChem:324325 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.6 Ų, RefChem:324325 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:324325 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:324325?
The CAS number of RefChem:324325 is 63716-95-0.
What is the molecular formula of RefChem:324325?
The molecular formula of RefChem:324325 is C21H25ClN2O2.
What is the molecular weight of RefChem:324325?
The molecular weight of RefChem:324325 is 372.16 g/mol.
Where can I buy RefChem:324325?
You can request a quote for RefChem:324325 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:324325?
Yes, KEHONG BIO provides custom synthesis services for RefChem:324325 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.