3-Heptyldihydro-5-methyl-2(3H)-furanone
TL;DR: 3-Heptyldihydro-5-methyl-2(3H)-furanone (CAS 40923-64-6) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-heptyl-5-methyloxolan-2-one
Also Known As: 3-heptyl-5-methyloxolan-2-one, 3-Heptyldihydro-5-methyl-2(3H)-furanone, FEMA No. 3350, alpha-Heptyl-gamma-valerolactone, 3-Heptyldihydro-5-methylfuran-2(3H)-one
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
| Boiling Point | 170.00 °C. @ 17.00 mm Hg |
| Density | 0.935-0.942 |
| Refractive Index | 1.443-1.450 |
Chemical Identifiers
| CAS Number | 40923-64-6 |
|---|---|
| SMILES | CCCCCCCC1CC(OC1=O)C |
| InChIKey | ZFKUTGNRVJOCIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Heptyldihydro-5-methyl-2(3H)-furanone (CAS 40923-64-6), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 3-heptyl-5-methyloxolan-2-one.
Chemical Property Profile of 3-Heptyldihydro-5-methyl-2(3H)-furanone
Property Insights of 3-Heptyldihydro-5-methyl-2(3H)-furanone
The XLogP value of 4.3 indicates that 3-Heptyldihydro-5-methyl-2(3H)-furanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Heptyldihydro-5-methyl-2(3H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptyldihydro-5-methyl-2(3H)-furanone 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 3-Heptyldihydro-5-methyl-2(3H)-furanone?
The CAS number of 3-Heptyldihydro-5-methyl-2(3H)-furanone is 40923-64-6.
What is the molecular formula of 3-Heptyldihydro-5-methyl-2(3H)-furanone?
The molecular formula of 3-Heptyldihydro-5-methyl-2(3H)-furanone is C12H22O2.
What is the molecular weight of 3-Heptyldihydro-5-methyl-2(3H)-furanone?
The molecular weight of 3-Heptyldihydro-5-methyl-2(3H)-furanone is 198.16 g/mol.
Where can I buy 3-Heptyldihydro-5-methyl-2(3H)-furanone?
You can request a quote for 3-Heptyldihydro-5-methyl-2(3H)-furanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Heptyldihydro-5-methyl-2(3H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptyldihydro-5-methyl-2(3H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.