1-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)-
TL;DR: 1-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)- (CAS 49583-26-8) 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.
1-(2,4,6-trihydroxy-3-methylphenyl)pentan-1-one
Also Known As: 2-Methyl-4-valerylphloroglucin, 2-Methyl-4-valeryl-phloroglucin, 1-(2,4,6-trihydroxy-3-methylphenyl)pentan-1-one, 1-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)-, 1-(2,4,6-Trihydroxy-3-methylphenyl)-1-pentanone
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 49583-26-8 |
|---|---|
| SMILES | CCCCC(=O)C1=C(C=C(C(=C1O)C)O)O |
| InChIKey | ADLPRNVMRYJZQL-UHFFFAOYSA-N |
Product Overview
1-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)- (CAS 49583-26-8), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: 1-(2,4,6-trihydroxy-3-methylphenyl)pentan-1-one.
Chemical Property Profile of 1-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)-
Property Insights of 1-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pentanone, 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-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)-. Following Lipinski's Rule of Five, 1-Pentanone, 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-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)-?
The CAS number of 1-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)- is 49583-26-8.
What is the molecular formula of 1-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)-?
The molecular formula of 1-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)- is C12H16O4.
What is the molecular weight of 1-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)-?
The molecular weight of 1-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)- is 224.10 g/mol.
Where can I buy 1-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)-?
You can request a quote for 1-Pentanone, 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-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.