![2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one structure](/static/products/879/879913-87-8.png)
2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
TL;DR: 2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one (CAS 879913-87-8) is a chemical compound with molecular formula C22H25FN2O3 and molecular weight 384.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one
Also Known As: 2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one, 2-(4-(2-fluorophenyl)piperazine-1-carbonyl)-3,6,6-trimethyl-6,7-dihydrobenzofuran-4(5H)-one, 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one, 2-{[4-(2-fluorophenyl)piperazinyl]carbonyl}-3,6,6-trimethyl-5,6,7-trihydrobenz o[1,2-b]furan-4-one
| Molecular Formula | C22H25FN2O3 |
|---|---|
| Molecular Weight | 384.18 g/mol |
| LogP | 3.84462 |
| Topological Polar Surface Area | 53.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.1849 |
| Heavy Atoms | 28 |
| Complexity | 939.25366 |
Chemical Identifiers
| CAS Number | 879913-87-8 |
|---|---|
| SMILES | CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)C4=CC=CC=C4F |
Product Overview
2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one (CAS 879913-87-8), with molecular formula C22H25FN2O3 and molecular weight 384.18 g/mol. IUPAC: 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one.
Chemical Property Profile of 2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
Property Insights of 2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
The XLogP value of 3.84462 indicates that 2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.76 Ų, 2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one 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 2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one?
The CAS number of 2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one is 879913-87-8.
What is the molecular formula of 2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one?
The molecular formula of 2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one is C22H25FN2O3.
What is the molecular weight of 2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one?
The molecular weight of 2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one is 384.18 g/mol.
Where can I buy 2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one?
You can request a quote for 2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(2-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.