6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one
TL;DR: 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one (CAS 50464-95-4) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-6-(5-methylfuran-2-yl)heptan-2-one
Also Known As: N-Aethylcarboaethoxy-pyrrol, 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one, 6-Methyl-6-(5-methyl-2-furyl)-2-heptanone, J1.795.534I, 6-(5-Methyl-2-furanyl)-6-methyl-2-heptanone
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 50464-95-4 |
|---|---|
| SMILES | CC1=CC=C(O1)C(C)(C)CCCC(=O)C |
| InChIKey | CQPPRTJQWXGAGK-UHFFFAOYSA-N |
Product Overview
6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one (CAS 50464-95-4), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 6-methyl-6-(5-methylfuran-2-yl)heptan-2-one.
Chemical Property Profile of 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one
Property Insights of 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one. With a topological polar surface area (TPSA) of 30.2 Ų, 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one has 0 hydrogen bond donor(s) and 2 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 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one?
The CAS number of 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one is 50464-95-4.
What is the molecular formula of 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one?
The molecular formula of 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one is C13H20O2.
What is the molecular weight of 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one?
The molecular weight of 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one is 208.15 g/mol.
Where can I buy 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one?
You can request a quote for 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.