1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-
TL;DR: 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)- (CAS 49583-27-9) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)butan-1-one
Also Known As: 2-Methyl-4-isovalerylphloroglucinol, 3-isovaleroyl-2,4,6-trihydroxytoluene, 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)butan-1-one, 3-Methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-butanone
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 49583-27-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1O)O)C(=O)CC(C)C)O |
| InChIKey | AQGJJVVGIDQMHX-UHFFFAOYSA-N |
Product Overview
1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)- (CAS 49583-27-9), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)butan-1-one.
Chemical Property Profile of 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-
Property Insights of 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-. Following Lipinski's Rule of Five, 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)- has 3 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 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-?
The CAS number of 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)- is 49583-27-9.
What is the molecular formula of 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-?
The molecular formula of 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)- is C12H16O4.
What is the molecular weight of 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-?
The molecular weight of 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)- is 224.10 g/mol.
Where can I buy 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-?
You can request a quote for 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.