A3747/0158823
TL;DR: A3747/0158823 (CAS 726166-64-9) is a chemical compound with molecular formula C24H26FN3O4 and molecular weight 439.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[4-(4-fluoroanilino)piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: A3747/0158823, ethyl 4-(3-{4-[(4-fluorophenyl)amino]piperidin-1-yl}-2,5-dioxopyrrolidin-1-yl)benzoate, ethyl 4-(3-(4-((4-fluorophenyl)amino)piperidin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoate, ethyl 4-(3-{4-[(4-fluorophenyl)amino]-1-piperidinyl}-2,5-dioxo-1-pyrrolidinyl)benzoate, ethyl 4-[3-[4-(4-fluoroanilino)piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
| Molecular Formula | C24H26FN3O4 |
|---|---|
| Molecular Weight | 439.19 g/mol |
| LogP | 3.2108 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.19073 |
| Heavy Atoms | 32 |
| Complexity | 985.30884 |
Chemical Identifiers
| CAS Number | 726166-64-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(CC3)NC4=CC=C(C=C4)F |
Product Overview
A3747/0158823 (CAS 726166-64-9), with molecular formula C24H26FN3O4 and molecular weight 439.19 g/mol. IUPAC: ethyl 4-[3-[4-(4-fluoroanilino)piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of A3747/0158823
Property Insights of A3747/0158823
The XLogP value of 3.2108 indicates that A3747/0158823 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for A3747/0158823. Following Lipinski's Rule of Five, A3747/0158823 has 1 hydrogen bond donor(s) and 6 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 A3747/0158823?
The CAS number of A3747/0158823 is 726166-64-9.
What is the molecular formula of A3747/0158823?
The molecular formula of A3747/0158823 is C24H26FN3O4.
What is the molecular weight of A3747/0158823?
The molecular weight of A3747/0158823 is 439.19 g/mol.
Where can I buy A3747/0158823?
You can request a quote for A3747/0158823 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3747/0158823?
Yes, KEHONG BIO provides custom synthesis services for A3747/0158823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.