5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione
TL;DR: 5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione (CAS 27462-91-5) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-methoxyphenyl)cyclohexane-1,3-dione
Also Known As: 5-(3-methoxyphenyl)cyclohexane-1,3-dione, equilin, CHEMBRDG-BB 4004570, 1,3-Cyclohexanedione, 5-(3-methoxyphenyl)-, 5- CYCLOHEXANE-1,3-DIONE
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.1009 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 406.94083 |
Chemical Identifiers
| CAS Number | 27462-91-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2CC(=O)CC(=O)C2 |
Product Overview
5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione (CAS 27462-91-5), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 5-(3-methoxyphenyl)cyclohexane-1,3-dione.
Chemical Property Profile of 5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione
Property Insights of 5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione
The XLogP value of 2.1009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione. With a topological polar surface area (TPSA) of 43.37 Ų, 5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione has 0 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 5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione?
The CAS number of 5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione is 27462-91-5.
What is the molecular formula of 5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione?
The molecular formula of 5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione is C13H14O3.
What is the molecular weight of 5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione?
The molecular weight of 5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione is 218.09 g/mol.
Where can I buy 5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione?
You can request a quote for 5-(3-Methoxyphenyl)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-(3-Methoxyphenyl)Cyclohexane-1,3-Dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Methoxyphenyl)Cyclohexane-1,3-Dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.