BAS 02869791
TL;DR: BAS 02869791 (CAS 6032-98-0) is a chemical compound with molecular formula C18H25FN2O2 and molecular weight 320.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-butanoylpiperazin-1-yl)-3-fluorophenyl]butan-1-one
Also Known As: BAS 02869791, 1-[4-(4-Butyryl-1-piperazinyl)-3-fluorophenyl]-1-butanone, 1-[4-(4-butanoylpiperazin-1-yl)-3-fluorophenyl]butan-1-one, Butan-1-one, 1-[4-(4-butanoyl-1-piperazinyl)-3-fluorophenyl]-, 1-[4-(4-butanoyl-2-fluorophenyl)piperazinyl]butan-1-one
| Molecular Formula | C18H25FN2O2 |
|---|---|
| Molecular Weight | 320.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.19 |
| Heavy Atoms | 23 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 6032-98-0 |
|---|---|
| SMILES | CCCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC)F |
| InChIKey | HUWSKRZCBGYFOF-UHFFFAOYSA-N |
Product Overview
BAS 02869791 (CAS 6032-98-0), with molecular formula C18H25FN2O2 and molecular weight 320.19 g/mol. IUPAC: 1-[4-(4-butanoylpiperazin-1-yl)-3-fluorophenyl]butan-1-one.
Chemical Property Profile of BAS 02869791
Property Insights of BAS 02869791
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02869791. With a topological polar surface area (TPSA) of 40.6 Ų, BAS 02869791 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02869791 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 BAS 02869791?
The CAS number of BAS 02869791 is 6032-98-0.
What is the molecular formula of BAS 02869791?
The molecular formula of BAS 02869791 is C18H25FN2O2.
What is the molecular weight of BAS 02869791?
The molecular weight of BAS 02869791 is 320.19 g/mol.
Where can I buy BAS 02869791?
You can request a quote for BAS 02869791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02869791?
Yes, KEHONG BIO provides custom synthesis services for BAS 02869791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.