![2-[(4-benzylpiperazin-1-yl)carbonyl]-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one structure](/static/products/879/879914-84-8.png)
2-[(4-benzylpiperazin-1-yl)carbonyl]-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
TL;DR: 2-[(4-benzylpiperazin-1-yl)carbonyl]-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one (CAS 879914-84-8) is a chemical compound with molecular formula C23H28N2O3 and molecular weight 380.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one
Also Known As: 2-[(4-benzylpiperazin-1-yl)carbonyl]-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one, 2-(4-benzylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one, 2-(4-benzylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydrobenzofuran-4-one, 2-(4-benzylpiperazine-1-carbonyl)-3,6,6-trimethyl-6,7-dihydrobenzofuran-4(5H)-one, 3,6,6-trimethyl-2-{[4-benzylpiperazinyl]carbonyl}-5,6,7-trihydrobenzo[1,2-b]fu ran-4-one
| Molecular Formula | C23H28N2O3 |
|---|---|
| Molecular Weight | 380.21 g/mol |
| LogP | 3.70112 |
| Topological Polar Surface Area | 53.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.21 |
| Heavy Atoms | 28 |
| Complexity | 890.0713 |
Chemical Identifiers
| CAS Number | 879914-84-8 |
|---|---|
| SMILES | CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
2-[(4-benzylpiperazin-1-yl)carbonyl]-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one (CAS 879914-84-8), with molecular formula C23H28N2O3 and molecular weight 380.21 g/mol. IUPAC: 2-(4-benzylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one.
Chemical Property Profile of 2-[(4-benzylpiperazin-1-yl)carbonyl]-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
Property Insights of 2-[(4-benzylpiperazin-1-yl)carbonyl]-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
The XLogP value of 3.70112 indicates that 2-[(4-benzylpiperazin-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-benzylpiperazin-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-benzylpiperazin-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-benzylpiperazin-1-yl)carbonyl]-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one?
The CAS number of 2-[(4-benzylpiperazin-1-yl)carbonyl]-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one is 879914-84-8.
What is the molecular formula of 2-[(4-benzylpiperazin-1-yl)carbonyl]-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one?
The molecular formula of 2-[(4-benzylpiperazin-1-yl)carbonyl]-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one is C23H28N2O3.
What is the molecular weight of 2-[(4-benzylpiperazin-1-yl)carbonyl]-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one?
The molecular weight of 2-[(4-benzylpiperazin-1-yl)carbonyl]-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one is 380.21 g/mol.
Where can I buy 2-[(4-benzylpiperazin-1-yl)carbonyl]-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one?
You can request a quote for 2-[(4-benzylpiperazin-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-benzylpiperazin-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-benzylpiperazin-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.