1-Docosanone, 1-(2,3,4(or 3,4,5)-trihydroxyphenyl)-
TL;DR: 1-Docosanone, 1-(2,3,4(or 3,4,5)-trihydroxyphenyl)- (CAS 68541-51-5) is a chemical compound with molecular formula C28H48O4 and molecular weight 448.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3,4-trihydroxyphenyl)docosan-1-one
Also Known As: 1-(2,3,4-trihydroxyphenyl)docosan-1-one, Benzene, 1,2,3-trihydroxy-, docosanoyl-, 1-(2,3,4-trihydroxyphenyl)-1-docosanone, 1-Docosanone, 1-[2,3,4(or 3,4,5)-trihydroxyphenyl]-, 1-(2,3,4(Or 3,4,5)-trihydroxyphenyl)docosan-1-one
| Molecular Formula | C28H48O4 |
|---|---|
| Molecular Weight | 448.36 g/mol |
| LogP | 11.7 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 448.35526 |
| Heavy Atoms | 32 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 68541-51-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)C1=C(C(=C(C=C1)O)O)O |
| InChIKey | JTAVJLZEIMQXIL-UHFFFAOYSA-N |
Product Overview
1-Docosanone, 1-(2,3,4(or 3,4,5)-trihydroxyphenyl)- (CAS 68541-51-5), with molecular formula C28H48O4 and molecular weight 448.36 g/mol. IUPAC: 1-(2,3,4-trihydroxyphenyl)docosan-1-one.
Chemical Property Profile of 1-Docosanone, 1-(2,3,4(or 3,4,5)-trihydroxyphenyl)-
Property Insights of 1-Docosanone, 1-(2,3,4(or 3,4,5)-trihydroxyphenyl)-
The XLogP value of 11.7 indicates that 1-Docosanone, 1-(2,3,4(or 3,4,5)-trihydroxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Docosanone, 1-(2,3,4(or 3,4,5)-trihydroxyphenyl)-. Following Lipinski's Rule of Five, 1-Docosanone, 1-(2,3,4(or 3,4,5)-trihydroxyphenyl)- has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Docosanone, 1-(2,3,4(or 3,4,5)-trihydroxyphenyl)-?
The CAS number of 1-Docosanone, 1-(2,3,4(or 3,4,5)-trihydroxyphenyl)- is 68541-51-5.
What is the molecular formula of 1-Docosanone, 1-(2,3,4(or 3,4,5)-trihydroxyphenyl)-?
The molecular formula of 1-Docosanone, 1-(2,3,4(or 3,4,5)-trihydroxyphenyl)- is C28H48O4.
What is the molecular weight of 1-Docosanone, 1-(2,3,4(or 3,4,5)-trihydroxyphenyl)-?
The molecular weight of 1-Docosanone, 1-(2,3,4(or 3,4,5)-trihydroxyphenyl)- is 448.36 g/mol.
Where can I buy 1-Docosanone, 1-(2,3,4(or 3,4,5)-trihydroxyphenyl)-?
You can request a quote for 1-Docosanone, 1-(2,3,4(or 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-Docosanone, 1-(2,3,4(or 3,4,5)-trihydroxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Docosanone, 1-(2,3,4(or 3,4,5)-trihydroxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.