A-431404
TL;DR: A-431404 (CAS 460747-37-9) is a chemical compound with molecular formula C22H22FNO2 and molecular weight 351.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone
Also Known As: (4-Fluorophenyl)(2-(2-((2R)-2-methyl-1-pyrrolidinyl)ethyl)-1-benzofuran-5-yl)methanone, Methanone, (4-fluorophenyl)(2-(2-((2R)-2-methyl-1-pyrrolidinyl)ethyl)-5-benzofuranyl)-, (4-Fluoro-phenyl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-methanone, (4-fluoro-phenyl)-{2-[2-(2(r)-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-methanone, (4-fluorophenyl)(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)methanone
| Molecular Formula | C22H22FNO2 |
|---|---|
| Molecular Weight | 351.16 g/mol |
| LogP | 4.8297 |
| Topological Polar Surface Area | 33.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.16345 |
| Heavy Atoms | 26 |
| Complexity | 928.97015 |
Chemical Identifiers
| CAS Number | 460747-37-9 |
|---|---|
| SMILES | C[C@@H]1CCCN1CCC2=CC3=C(O2)C=CC(=C3)C(=O)C4=CC=C(C=C4)F |
Product Overview
A-431404 (CAS 460747-37-9), with molecular formula C22H22FNO2 and molecular weight 351.16 g/mol. IUPAC: (4-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone.
Chemical Property Profile of A-431404
Property Insights of A-431404
The XLogP value of 4.8297 indicates that A-431404 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.45 Ų, A-431404 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A-431404 has 0 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 A-431404?
The CAS number of A-431404 is 460747-37-9.
What is the molecular formula of A-431404?
The molecular formula of A-431404 is C22H22FNO2.
What is the molecular weight of A-431404?
The molecular weight of A-431404 is 351.16 g/mol.
Where can I buy A-431404?
You can request a quote for A-431404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-431404?
Yes, KEHONG BIO provides custom synthesis services for A-431404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.