1-Octanone, 1-(2,5-dihydroxyphenyl)-
TL;DR: 1-Octanone, 1-(2,5-dihydroxyphenyl)- (CAS 4693-19-0) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dihydroxyphenyl)octan-1-one
Also Known As: 2',5'-Dihydroxyoctanophenone, 1-(2,5-dihydroxyphenyl)octan-1-one, 1-Octanone, 1-(2,5-dihydroxyphenyl)-, 2,5-Dihydroxy-octanophenon, 1-(2,5-Dihydroxyphenyl)-1-octanone
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 4693-19-0 |
|---|---|
| SMILES | CCCCCCCC(=O)C1=C(C=CC(=C1)O)O |
| InChIKey | UVAFQENBAUNGJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Octanone, 1-(2,5-dihydroxyphenyl)- (CAS 4693-19-0), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: 1-(2,5-dihydroxyphenyl)octan-1-one.
Chemical Property Profile of 1-Octanone, 1-(2,5-dihydroxyphenyl)-
Property Insights of 1-Octanone, 1-(2,5-dihydroxyphenyl)-
The XLogP value of 4.4 indicates that 1-Octanone, 1-(2,5-dihydroxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 1-Octanone, 1-(2,5-dihydroxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octanone, 1-(2,5-dihydroxyphenyl)- has 2 hydrogen bond donor(s) and 3 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-Octanone, 1-(2,5-dihydroxyphenyl)-?
The CAS number of 1-Octanone, 1-(2,5-dihydroxyphenyl)- is 4693-19-0.
What is the molecular formula of 1-Octanone, 1-(2,5-dihydroxyphenyl)-?
The molecular formula of 1-Octanone, 1-(2,5-dihydroxyphenyl)- is C14H20O3.
What is the molecular weight of 1-Octanone, 1-(2,5-dihydroxyphenyl)-?
The molecular weight of 1-Octanone, 1-(2,5-dihydroxyphenyl)- is 236.14 g/mol.
Where can I buy 1-Octanone, 1-(2,5-dihydroxyphenyl)-?
You can request a quote for 1-Octanone, 1-(2,5-dihydroxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octanone, 1-(2,5-dihydroxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Octanone, 1-(2,5-dihydroxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.