![(3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone structure](/static/products/879/879914-67-7.png)
(3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone
TL;DR: (3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone (CAS 879914-67-7) is a chemical compound with molecular formula C17H24N2O2S2 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylpiperazin-1-yl)-(3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-yl)methanone
Also Known As: (3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone, (3-methyl-6,7-dihydro-5H-spiro[benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone, (4-methylpiperazin-1-yl)-(3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-yl)methanone, 4-methylpiperazinyl 8-methylspiro[1,3-dithiolane-2,4'-4,5,6,7-tetrahydrobenzo[ 1,2-d]furan]-7-yl ketone
| Molecular Formula | C17H24N2O2S2 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 2.94472 |
| Topological Polar Surface Area | 36.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.12793 |
| Heavy Atoms | 23 |
| Complexity | 614.35474 |
Chemical Identifiers
| CAS Number | 879914-67-7 |
|---|---|
| SMILES | CC1=C(OC2=C1C3(CCC2)SCCS3)C(=O)N4CCN(CC4)C |
Product Overview
(3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone (CAS 879914-67-7), with molecular formula C17H24N2O2S2 and molecular weight 352.13 g/mol. IUPAC: (4-methylpiperazin-1-yl)-(3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-yl)methanone.
Chemical Property Profile of (3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone
Property Insights of (3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone
The XLogP value of 2.94472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone. With a topological polar surface area (TPSA) of 36.69 Ų, (3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone has 0 hydrogen bond donor(s) and 5 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-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone?
The CAS number of (3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone is 879914-67-7.
What is the molecular formula of (3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone?
The molecular formula of (3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone is C17H24N2O2S2.
What is the molecular weight of (3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone?
The molecular weight of (3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone is 352.13 g/mol.
Where can I buy (3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone?
You can request a quote for (3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.