(2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
TL;DR: (2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (CAS 886642-39-3) is a chemical compound with molecular formula C13H20N2O2 and molecular weight 236.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
Also Known As: (2,5-dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone, (2,5-dimethyl-3-furyl)-(4-methyl-1,4-diazepan-1-yl)methanone, 2,5-dimethyl(3-furyl) 4-methyl(1,4-diazaperhydroepinyl) ketone
| Molecular Formula | C13H20N2O2 |
|---|---|
| Molecular Weight | 236.15 g/mol |
| LogP | 1.67414 |
| Topological Polar Surface Area | 36.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.15248 |
| Heavy Atoms | 17 |
| Complexity | 411.552 |
Chemical Identifiers
| CAS Number | 886642-39-3 |
|---|---|
| SMILES | CC1=CC(=C(O1)C)C(=O)N2CCCN(CC2)C |
Product Overview
(2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (CAS 886642-39-3), with molecular formula C13H20N2O2 and molecular weight 236.15 g/mol. IUPAC: (2,5-dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.
Chemical Property Profile of (2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
Property Insights of (2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
The XLogP value of 1.67414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone. With a topological polar surface area (TPSA) of 36.69 Ų, (2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone has 0 hydrogen bond donor(s) and 3 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 (2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The CAS number of (2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is 886642-39-3.
What is the molecular formula of (2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The molecular formula of (2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is C13H20N2O2.
What is the molecular weight of (2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The molecular weight of (2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is 236.15 g/mol.
Where can I buy (2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
You can request a quote for (2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-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 (2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2,5-Dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.