1-Heptanone, 1-(3,4,5-trihydroxyphenyl)-
TL;DR: 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)- (CAS 100079-25-2) is a chemical compound with molecular formula C13H18O4 and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4,5-trihydroxyphenyl)heptan-1-one
Also Known As: 1,2,3-Benzenetriol, 4-(hexylcarbonyl)-, 1-(3,4,5-Trihydroxyphenyl)-1-heptanone, 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)-, 1-(3,4,5-trihydroxyphenyl)heptan-1-one, RefChem:230644
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 2.9565 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.12051 |
| Heavy Atoms | 17 |
| Complexity | 375.4011 |
Chemical Identifiers
| CAS Number | 100079-25-2 |
|---|---|
| SMILES | CCCCCCC(=O)C1=CC(=C(C(=C1)O)O)O |
Product Overview
1-Heptanone, 1-(3,4,5-trihydroxyphenyl)- (CAS 100079-25-2), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: 1-(3,4,5-trihydroxyphenyl)heptan-1-one.
Chemical Property Profile of 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)-
Property Insights of 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)-
The XLogP value of 2.9565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)-. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)-. Following Lipinski's Rule of Five, 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)- 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-Heptanone, 1-(3,4,5-trihydroxyphenyl)-?
The CAS number of 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)- is 100079-25-2.
What is the molecular formula of 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)-?
The molecular formula of 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)- is C13H18O4.
What is the molecular weight of 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)-?
The molecular weight of 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)- is 238.12 g/mol.
Where can I buy 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)-?
You can request a quote for 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.