3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one
TL;DR: 3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one (CAS 900291-18-1) is a chemical compound with molecular formula C18H20N4O3 and molecular weight 340.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one
Also Known As: 3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one, 3-methyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one, 3-methyl-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]carbonyl}-6,7-dihydro-1-benzofuran-4(5H)-one
| Molecular Formula | C18H20N4O3 |
|---|---|
| Molecular Weight | 340.15 g/mol |
| LogP | 1.85942 |
| Topological Polar Surface Area | 79.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.15353 |
| Heavy Atoms | 25 |
| Complexity | 807.2287 |
Chemical Identifiers
| CAS Number | 900291-18-1 |
|---|---|
| SMILES | CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CCN(CC3)C4=NC=CC=N4 |
Product Overview
3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one (CAS 900291-18-1), with molecular formula C18H20N4O3 and molecular weight 340.15 g/mol. IUPAC: 3-methyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one.
Chemical Property Profile of 3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one
Property Insights of 3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one
The XLogP value of 1.85942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one. The TPSA of 79.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one. Following Lipinski's Rule of Five, 3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one 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 3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one?
The CAS number of 3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one is 900291-18-1.
What is the molecular formula of 3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one?
The molecular formula of 3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one is C18H20N4O3.
What is the molecular weight of 3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one?
The molecular weight of 3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one is 340.15 g/mol.
Where can I buy 3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one?
You can request a quote for 3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-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 3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-2-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-6,7-dihydrobenzofuran-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.