3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one
TL;DR: 3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one (CAS 670243-42-2) is a chemical compound with molecular formula C16H18O4 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,7-trimethyl-5-(3-oxobutan-2-yloxy)chromen-2-one
Also Known As: 3,4,7-TRIMETHYL-5-(1-METHYL-2-OXOPROPOXY)-2H-CHROMEN-2-ONE, 3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-chromen-2-one, CHEMBRDG-BB7109942, 3,4,7-trimethyl-5-(3-oxobutan-2-yloxy)chromen-2-one, 3,4,7-trimethyl-5-[(3-oxobutan-2-yl)oxy]-2H-chromen-2-one
| Molecular Formula | C16H18O4 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.1205 |
| Heavy Atoms | 20 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 670243-42-2 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OC(C)C(=O)C |
| InChIKey | RCMROVGQFYVIEZ-UHFFFAOYSA-N |
Product Overview
3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one (CAS 670243-42-2), with molecular formula C16H18O4 and molecular weight 274.12 g/mol. IUPAC: 3,4,7-trimethyl-5-(3-oxobutan-2-yloxy)chromen-2-one.
Chemical Property Profile of 3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one
Property Insights of 3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one. With a topological polar surface area (TPSA) of 52.6 Ų, 3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one has 0 hydrogen bond donor(s) and 4 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 3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one?
The CAS number of 3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one is 670243-42-2.
What is the molecular formula of 3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one?
The molecular formula of 3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one is C16H18O4.
What is the molecular weight of 3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one?
The molecular weight of 3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one is 274.12 g/mol.
Where can I buy 3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one?
You can request a quote for 3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4,7-Trimethyl-5-((3-oxobutan-2-yl)oxy)-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.