Phomalone
TL;DR: Phomalone (CAS 159768-89-5) is a chemical compound with molecular formula C13H18O5 and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]butan-1-one
Also Known As: Phomalone, Phomalone, >=95% (LC/MS-UV), 1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]butan-1-one, 1-(2,4-Dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl)butan-1-one, 1-Butanone, 1-(2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl)-
| Molecular Formula | C13H18O5 |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.11542 |
| Heavy Atoms | 18 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 159768-89-5 |
|---|---|
| SMILES | CCCC(=O)C1=C(C=C(C(=C1O)CCO)O)OC |
| InChIKey | PTBQWWHUOMDVFS-UHFFFAOYSA-N |
Product Overview
Phomalone (CAS 159768-89-5), with molecular formula C13H18O5 and molecular weight 254.12 g/mol. IUPAC: 1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]butan-1-one.
Chemical Property Profile of Phomalone
Property Insights of Phomalone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phomalone. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phomalone. Following Lipinski's Rule of Five, Phomalone has 3 hydrogen bond donor(s) and 5 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 Phomalone?
The CAS number of Phomalone is 159768-89-5.
What is the molecular formula of Phomalone?
The molecular formula of Phomalone is C13H18O5.
What is the molecular weight of Phomalone?
The molecular weight of Phomalone is 254.12 g/mol.
Where can I buy Phomalone?
You can request a quote for Phomalone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phomalone?
Yes, KEHONG BIO provides custom synthesis services for Phomalone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.