A3801/0161317
TL;DR: A3801/0161317 (CAS 613658-56-3) is a chemical compound with molecular formula C20H25FN2O3 and molecular weight 360.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
Also Known As: A3801/0161317, 1-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one, (1S,4S)-1-(4-(2-fluorophenyl)piperazine-1-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one, 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one
| Molecular Formula | C20H25FN2O3 |
|---|---|
| Molecular Weight | 360.18 g/mol |
| LogP | 2.5962 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.1849 |
| Heavy Atoms | 26 |
| Complexity | 772.0747 |
Chemical Identifiers
| CAS Number | 613658-56-3 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4F)C)C |
Product Overview
A3801/0161317 (CAS 613658-56-3), with molecular formula C20H25FN2O3 and molecular weight 360.18 g/mol. IUPAC: 1-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one.
Chemical Property Profile of A3801/0161317
Property Insights of A3801/0161317
The XLogP value of 2.5962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3801/0161317. With a topological polar surface area (TPSA) of 49.85 Ų, A3801/0161317 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3801/0161317 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 A3801/0161317?
The CAS number of A3801/0161317 is 613658-56-3.
What is the molecular formula of A3801/0161317?
The molecular formula of A3801/0161317 is C20H25FN2O3.
What is the molecular weight of A3801/0161317?
The molecular weight of A3801/0161317 is 360.18 g/mol.
Where can I buy A3801/0161317?
You can request a quote for A3801/0161317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3801/0161317?
Yes, KEHONG BIO provides custom synthesis services for A3801/0161317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.