![3-[(2-Methyl-3-furyl)thio]-4-heptanone structure](/static/products/6129/61295-41-8.webp)
3-[(2-Methyl-3-furyl)thio]-4-heptanone
TL;DR: 3-[(2-Methyl-3-furyl)thio]-4-heptanone (CAS 61295-41-8) is a chemical compound with molecular formula C12H18O2S and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylfuran-3-yl)sulfanylheptan-4-one
Also Known As: 3-(2-Methyl-3-furylthio)-4-heptanone, 3-((2-Methylfuran-3-yl)thio)heptan-4-one, FEMA No. 3570, 3-((2-Methyl-3-furyl)thio)-4-heptanone, 3-(2-methylfuran-3-yl)sulfanylheptan-4-one
| Molecular Formula | C12H18O2S |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.10275 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
| Density | 1.041-1.045 |
| Solubility | Insoluble in water; soluble in fat |
| Refractive Index | 1.496-1.502 |
Chemical Identifiers
| CAS Number | 61295-41-8 |
|---|---|
| SMILES | CCCC(=O)C(CC)SC1=C(OC=C1)C |
| InChIKey | GFRRQSASJZMMJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[(2-Methyl-3-furyl)thio]-4-heptanone (CAS 61295-41-8), with molecular formula C12H18O2S and molecular weight 226.10 g/mol. IUPAC: 3-(2-methylfuran-3-yl)sulfanylheptan-4-one.
Chemical Property Profile of 3-[(2-Methyl-3-furyl)thio]-4-heptanone
Property Insights of 3-[(2-Methyl-3-furyl)thio]-4-heptanone
The XLogP value of 3.4 indicates that 3-[(2-Methyl-3-furyl)thio]-4-heptanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.5 Ų, 3-[(2-Methyl-3-furyl)thio]-4-heptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-Methyl-3-furyl)thio]-4-heptanone 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 3-[(2-Methyl-3-furyl)thio]-4-heptanone?
The CAS number of 3-[(2-Methyl-3-furyl)thio]-4-heptanone is 61295-41-8.
What is the molecular formula of 3-[(2-Methyl-3-furyl)thio]-4-heptanone?
The molecular formula of 3-[(2-Methyl-3-furyl)thio]-4-heptanone is C12H18O2S.
What is the molecular weight of 3-[(2-Methyl-3-furyl)thio]-4-heptanone?
The molecular weight of 3-[(2-Methyl-3-furyl)thio]-4-heptanone is 226.10 g/mol.
Where can I buy 3-[(2-Methyl-3-furyl)thio]-4-heptanone?
You can request a quote for 3-[(2-Methyl-3-furyl)thio]-4-heptanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-Methyl-3-furyl)thio]-4-heptanone?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Methyl-3-furyl)thio]-4-heptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.