1-Octanone, 1-(2,5-dihydroxy-4-octylphenyl)-
TL;DR: 1-Octanone, 1-(2,5-dihydroxy-4-octylphenyl)- (CAS 63134-27-0) is a chemical compound with molecular formula C22H36O3 and molecular weight 348.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dihydroxy-4-octylphenyl)octan-1-one
Also Known As: 1- -1-octanone, 1-Octanone, 1-(2,5-dihydroxy-4-octylphenyl)-, 1-(2,5-Dihydroxy-4-octylphenyl)-1-octanone, 1-(2,5-dihydroxy-4-octylphenyl)octan-1-one, RefChem:435202
| Molecular Formula | C22H36O3 |
|---|---|
| Molecular Weight | 348.27 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 348.26645 |
| Heavy Atoms | 25 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 63134-27-0 |
|---|---|
| SMILES | CCCCCCCCC1=CC(=C(C=C1O)C(=O)CCCCCCC)O |
| InChIKey | DCJOHKAKSCTBKS-UHFFFAOYSA-N |
Product Overview
1-Octanone, 1-(2,5-dihydroxy-4-octylphenyl)- (CAS 63134-27-0), with molecular formula C22H36O3 and molecular weight 348.27 g/mol. IUPAC: 1-(2,5-dihydroxy-4-octylphenyl)octan-1-one.
Chemical Property Profile of 1-Octanone, 1-(2,5-dihydroxy-4-octylphenyl)-
Property Insights of 1-Octanone, 1-(2,5-dihydroxy-4-octylphenyl)-
The XLogP value of 8.5 indicates that 1-Octanone, 1-(2,5-dihydroxy-4-octylphenyl)- 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-dihydroxy-4-octylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octanone, 1-(2,5-dihydroxy-4-octylphenyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Octanone, 1-(2,5-dihydroxy-4-octylphenyl)-?
The CAS number of 1-Octanone, 1-(2,5-dihydroxy-4-octylphenyl)- is 63134-27-0.
What is the molecular formula of 1-Octanone, 1-(2,5-dihydroxy-4-octylphenyl)-?
The molecular formula of 1-Octanone, 1-(2,5-dihydroxy-4-octylphenyl)- is C22H36O3.
What is the molecular weight of 1-Octanone, 1-(2,5-dihydroxy-4-octylphenyl)-?
The molecular weight of 1-Octanone, 1-(2,5-dihydroxy-4-octylphenyl)- is 348.27 g/mol.
Where can I buy 1-Octanone, 1-(2,5-dihydroxy-4-octylphenyl)-?
You can request a quote for 1-Octanone, 1-(2,5-dihydroxy-4-octylphenyl)- 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-dihydroxy-4-octylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Octanone, 1-(2,5-dihydroxy-4-octylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.