4-((2-Methyl-3-furyl)thio)-5-nonanone
TL;DR: 4-((2-Methyl-3-furyl)thio)-5-nonanone (CAS 61295-50-9) is a chemical compound with molecular formula C14H22O2S and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylfuran-3-yl)sulfanylnonan-5-one
Also Known As: 4-((2-Methyl-3-furyl)thio)-5-nonanone, FEMA No. 3571, 4-(2-Methyl-3-furylthio)-5-nonanone, 4-(2-methylfuran-3-yl)sulfanylnonan-5-one, 4-[(2-Methyl-3-furanyl)thio]-5-nonanone
| Molecular Formula | C14H22O2S |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 254.13405 |
| Heavy Atoms | 17 |
| Complexity | 230.0 |
| Boiling Point | 102.00 to 103.00 °C. @ 0.25 mm Hg |
| Density | 1.000-1.012 |
| Solubility | Insoluble in water; soluble in fat |
| Refractive Index | 1.489-1.496 |
Chemical Identifiers
| CAS Number | 61295-50-9 |
|---|---|
| SMILES | CCCCC(=O)C(CCC)SC1=C(OC=C1)C |
| InChIKey | PEYZZTQOVLTVHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((2-Methyl-3-furyl)thio)-5-nonanone (CAS 61295-50-9), with molecular formula C14H22O2S and molecular weight 254.13 g/mol. IUPAC: 4-(2-methylfuran-3-yl)sulfanylnonan-5-one.
Chemical Property Profile of 4-((2-Methyl-3-furyl)thio)-5-nonanone
Property Insights of 4-((2-Methyl-3-furyl)thio)-5-nonanone
The XLogP value of 4.3 indicates that 4-((2-Methyl-3-furyl)thio)-5-nonanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.5 Ų, 4-((2-Methyl-3-furyl)thio)-5-nonanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2-Methyl-3-furyl)thio)-5-nonanone 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 4-((2-Methyl-3-furyl)thio)-5-nonanone?
The CAS number of 4-((2-Methyl-3-furyl)thio)-5-nonanone is 61295-50-9.
What is the molecular formula of 4-((2-Methyl-3-furyl)thio)-5-nonanone?
The molecular formula of 4-((2-Methyl-3-furyl)thio)-5-nonanone is C14H22O2S.
What is the molecular weight of 4-((2-Methyl-3-furyl)thio)-5-nonanone?
The molecular weight of 4-((2-Methyl-3-furyl)thio)-5-nonanone is 254.13 g/mol.
Where can I buy 4-((2-Methyl-3-furyl)thio)-5-nonanone?
You can request a quote for 4-((2-Methyl-3-furyl)thio)-5-nonanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-Methyl-3-furyl)thio)-5-nonanone?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Methyl-3-furyl)thio)-5-nonanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.