4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone
TL;DR: 4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone (CAS 581-12-4) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,5S)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one
Also Known As: Ngaione, Dehydrongaione, Ipomeamaron, Ipomeamarone, cis-Ngaione
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 581-12-4 |
|---|---|
| SMILES | CC(C)CC(=O)C[C@]1(CC[C@H](O1)C2=COC=C2)C |
| InChIKey | WOFDWNOSFDVCDF-LSDHHAIUSA-N |
Product Overview
4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone (CAS 581-12-4), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: 1-[(2R,5S)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one.
Chemical Property Profile of 4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone
Property Insights of 4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone. With a topological polar surface area (TPSA) of 39.4 Ų, 4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone 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-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone?
The CAS number of 4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone is 581-12-4.
What is the molecular formula of 4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone?
The molecular formula of 4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone is C15H22O3.
What is the molecular weight of 4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone?
The molecular weight of 4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone is 250.16 g/mol.
Where can I buy 4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone?
You can request a quote for 4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.