A3789/0160864
TL;DR: A3789/0160864 (CAS 727682-85-1) is a chemical compound with molecular formula C22H28FN3O3 and molecular weight 401.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
Also Known As: A3789/0160864, 3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione, 3-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
| Molecular Formula | C22H28FN3O3 |
|---|---|
| Molecular Weight | 401.21 g/mol |
| LogP | 2.5722 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.21146 |
| Heavy Atoms | 29 |
| Complexity | 766.0121 |
Chemical Identifiers
| CAS Number | 727682-85-1 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2CCN(CC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)F |
Product Overview
A3789/0160864 (CAS 727682-85-1), with molecular formula C22H28FN3O3 and molecular weight 401.21 g/mol. IUPAC: 3-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione.
Chemical Property Profile of A3789/0160864
Property Insights of A3789/0160864
The XLogP value of 2.5722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3789/0160864. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for A3789/0160864. Following Lipinski's Rule of Five, A3789/0160864 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 A3789/0160864?
The CAS number of A3789/0160864 is 727682-85-1.
What is the molecular formula of A3789/0160864?
The molecular formula of A3789/0160864 is C22H28FN3O3.
What is the molecular weight of A3789/0160864?
The molecular weight of A3789/0160864 is 401.21 g/mol.
Where can I buy A3789/0160864?
You can request a quote for A3789/0160864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3789/0160864?
Yes, KEHONG BIO provides custom synthesis services for A3789/0160864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.