2-(Thien-2-ylcarbonyl)cyclohexanone
TL;DR: 2-(Thien-2-ylcarbonyl)cyclohexanone (CAS 404858-18-0) is a chemical compound with molecular formula C11H12O2S and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(thiophene-2-carbonyl)cyclohexan-1-one
Also Known As: 2-(thien-2-ylcarbonyl)cyclohexanone, 2-(2-thenoyl)-1-cyclohexanone, 2-oxocyclohexyl 2-thienyl ketone, 2-(2-Thienylcarbonyl)cyclohexanone, 2-(Thiophene-2-carbonyl)cyclohexanone
| Molecular Formula | C11H12O2S |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 2.6901 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.0558 |
| Heavy Atoms | 14 |
| Complexity | 340.17932 |
Chemical Identifiers
| CAS Number | 404858-18-0 |
|---|---|
| SMILES | C1CCC(=O)C(C1)C(=O)C2=CC=CS2 |
Product Overview
2-(Thien-2-ylcarbonyl)cyclohexanone (CAS 404858-18-0), with molecular formula C11H12O2S and molecular weight 208.06 g/mol. IUPAC: 2-(thiophene-2-carbonyl)cyclohexan-1-one.
Chemical Property Profile of 2-(Thien-2-ylcarbonyl)cyclohexanone
Property Insights of 2-(Thien-2-ylcarbonyl)cyclohexanone
The XLogP value of 2.6901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Thien-2-ylcarbonyl)cyclohexanone. With a topological polar surface area (TPSA) of 34.14 Ų, 2-(Thien-2-ylcarbonyl)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Thien-2-ylcarbonyl)cyclohexanone 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 2-(Thien-2-ylcarbonyl)cyclohexanone?
The CAS number of 2-(Thien-2-ylcarbonyl)cyclohexanone is 404858-18-0.
What is the molecular formula of 2-(Thien-2-ylcarbonyl)cyclohexanone?
The molecular formula of 2-(Thien-2-ylcarbonyl)cyclohexanone is C11H12O2S.
What is the molecular weight of 2-(Thien-2-ylcarbonyl)cyclohexanone?
The molecular weight of 2-(Thien-2-ylcarbonyl)cyclohexanone is 208.06 g/mol.
Where can I buy 2-(Thien-2-ylcarbonyl)cyclohexanone?
You can request a quote for 2-(Thien-2-ylcarbonyl)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Thien-2-ylcarbonyl)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Thien-2-ylcarbonyl)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.