A-417022
TL;DR: A-417022 (CAS 461045-07-8) is a chemical compound with molecular formula C22H26FN3O and molecular weight 367.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]-3-fluorophenyl]benzonitrile
Also Known As: (1,1'-Biphenyl)-4-carbonitrile, 4'-(3-((3R)-3-(dimethylamino)-1-pyrrolidinyl)propoxy)-3'-fluoro-, 4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]-3-fluorophenyl]benzonitrile, 4-[4-[3-[(3R)-3-dimethylaminopyrrolidin-1-yl]propoxy]-3-fluoro-phenyl]benzonitrile, 4'-{3-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]propoxy}-3'-fluoro-1,1'-biphenyl-4-carbonitrile, RefChem:914835
| Molecular Formula | C22H26FN3O |
|---|---|
| Molecular Weight | 367.21 g/mol |
| LogP | 3.76918 |
| Topological Polar Surface Area | 39.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 367.206 |
| Heavy Atoms | 27 |
| Complexity | 798.19543 |
Chemical Identifiers
| CAS Number | 461045-07-8 |
|---|---|
| SMILES | CN(C)[C@@H]1CCN(C1)CCCOC2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)F |
Product Overview
A-417022 (CAS 461045-07-8), with molecular formula C22H26FN3O and molecular weight 367.21 g/mol. IUPAC: 4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]-3-fluorophenyl]benzonitrile.
Chemical Property Profile of A-417022
Property Insights of A-417022
The XLogP value of 3.76918 indicates that A-417022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.5 Ų, A-417022 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A-417022 has 0 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 A-417022?
The CAS number of A-417022 is 461045-07-8.
What is the molecular formula of A-417022?
The molecular formula of A-417022 is C22H26FN3O.
What is the molecular weight of A-417022?
The molecular weight of A-417022 is 367.21 g/mol.
Where can I buy A-417022?
You can request a quote for A-417022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-417022?
Yes, KEHONG BIO provides custom synthesis services for A-417022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.