F2617-0113
TL;DR: F2617-0113 (CAS 898464-73-8) is a chemical compound with molecular formula C23H29N3O4 and molecular weight 411.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one
Also Known As: F2617-0113, 2-[(4-benzylpiperazin-1-yl)methyl]-5-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]-4H-pyran-4-one, 2-((4-benzylpiperazin-1-yl)methyl)-5-(2-oxo-2-(pyrrolidin-1-yl)ethoxy)-4H-pyran-4-one, 2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one, 2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-oxo-2-pyrrolidin-1-yl-ethoxy)pyran-4-one
| Molecular Formula | C23H29N3O4 |
|---|---|
| Molecular Weight | 411.22 g/mol |
| LogP | 1.9588 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.21582 |
| Heavy Atoms | 30 |
| Complexity | 884.8213 |
Chemical Identifiers
| CAS Number | 898464-73-8 |
|---|---|
| SMILES | C1CCN(C1)C(=O)COC2=COC(=CC2=O)CN3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
F2617-0113 (CAS 898464-73-8), with molecular formula C23H29N3O4 and molecular weight 411.22 g/mol. IUPAC: 2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one.
Chemical Property Profile of F2617-0113
Property Insights of F2617-0113
The XLogP value of 1.9588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2617-0113. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for F2617-0113. Following Lipinski's Rule of Five, F2617-0113 has 0 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 F2617-0113?
The CAS number of F2617-0113 is 898464-73-8.
What is the molecular formula of F2617-0113?
The molecular formula of F2617-0113 is C23H29N3O4.
What is the molecular weight of F2617-0113?
The molecular weight of F2617-0113 is 411.22 g/mol.
Where can I buy F2617-0113?
You can request a quote for F2617-0113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2617-0113?
Yes, KEHONG BIO provides custom synthesis services for F2617-0113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.