5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione
TL;DR: 5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione (CAS 119101-24-5) is a chemical compound with molecular formula C15H18O5 and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,3,4-trimethoxyphenyl)cyclohexane-1,3-dione
Also Known As: 5-(2,3,4-trimethoxyphenyl)cyclohexane-1,3-dione, 1,3-Cyclohexanedione, 5-(2,3,4-trimethoxyphenyl)-, 5-(2,3,4-Trimethoxyphenyl)-1,3-cyclohexanedione, 5-(2,3,4-Trimethoxyphenyl)-1,3-cyclohexanedione #, Cyclohexan-1,3-dione, 5-[2,3,4-trimethoxyphenyl]-
| Molecular Formula | C15H18O5 |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.11542 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 119101-24-5 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C2CC(=O)CC(=O)C2)OC)OC |
| InChIKey | HJRCBOQATKJKRJ-UHFFFAOYSA-N |
Product Overview
5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione (CAS 119101-24-5), with molecular formula C15H18O5 and molecular weight 278.12 g/mol. IUPAC: 5-(2,3,4-trimethoxyphenyl)cyclohexane-1,3-dione.
Chemical Property Profile of 5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione
Property Insights of 5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione. Following Lipinski's Rule of Five, 5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione has 0 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 5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione?
The CAS number of 5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione is 119101-24-5.
What is the molecular formula of 5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione?
The molecular formula of 5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione is C15H18O5.
What is the molecular weight of 5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione?
The molecular weight of 5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione is 278.12 g/mol.
Where can I buy 5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione?
You can request a quote for 5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,3,4-Trimethoxyphenyl)cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.