5-(4-Methylsulfanyl-phenyl)-cyclohexane-1,3-dione
TL;DR: 5-(4-Methylsulfanyl-phenyl)-cyclohexane-1,3-dione (CAS 144128-74-5) is a chemical compound with molecular formula C13H14O2S and molecular weight 234.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylsulfanylphenyl)cyclohexane-1,3-dione
Also Known As: 5-(4-METHYLSULFANYL-PHENYL)-CYCLOHEXANE-1,3-DIONE, 5-(4-methylsulfanylphenyl)cyclohexane-1,3-dione, 5- -CYCLOHEXANE-1,3-DIONE, DIETHYL2,4-DIFLUOROPHENYLMALONATE, 5-[4-(methylsulfanyl)phenyl]cyclohexane-1,3-dione
| Molecular Formula | C13H14O2S |
|---|---|
| Molecular Weight | 234.07 g/mol |
| LogP | 2.8142 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.07146 |
| Heavy Atoms | 16 |
| Complexity | 392.4457 |
Chemical Identifiers
| CAS Number | 144128-74-5 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2CC(=O)CC(=O)C2 |
Product Overview
5-(4-Methylsulfanyl-phenyl)-cyclohexane-1,3-dione (CAS 144128-74-5), with molecular formula C13H14O2S and molecular weight 234.07 g/mol. IUPAC: 5-(4-methylsulfanylphenyl)cyclohexane-1,3-dione.
Chemical Property Profile of 5-(4-Methylsulfanyl-phenyl)-cyclohexane-1,3-dione
Property Insights of 5-(4-Methylsulfanyl-phenyl)-cyclohexane-1,3-dione
The XLogP value of 2.8142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Methylsulfanyl-phenyl)-cyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 34.14 Ų, 5-(4-Methylsulfanyl-phenyl)-cyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Methylsulfanyl-phenyl)-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-(4-Methylsulfanyl-phenyl)-cyclohexane-1,3-dione?
The CAS number of 5-(4-Methylsulfanyl-phenyl)-cyclohexane-1,3-dione is 144128-74-5.
What is the molecular formula of 5-(4-Methylsulfanyl-phenyl)-cyclohexane-1,3-dione?
The molecular formula of 5-(4-Methylsulfanyl-phenyl)-cyclohexane-1,3-dione is C13H14O2S.
What is the molecular weight of 5-(4-Methylsulfanyl-phenyl)-cyclohexane-1,3-dione?
The molecular weight of 5-(4-Methylsulfanyl-phenyl)-cyclohexane-1,3-dione is 234.07 g/mol.
Where can I buy 5-(4-Methylsulfanyl-phenyl)-cyclohexane-1,3-dione?
You can request a quote for 5-(4-Methylsulfanyl-phenyl)-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-(4-Methylsulfanyl-phenyl)-cyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methylsulfanyl-phenyl)-cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.