![5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione structure](/static/products/4780/478041-53-1.webp)
5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione
TL;DR: 5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione (CAS 478041-53-1) is a chemical compound with molecular formula C20H25NO5S and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(benzenesulfonyl)piperidine-4-carbonyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: Bionet1_004487, 5,5-dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione, 2-[1-(benzenesulfonyl)piperidine-4-carbonyl]-5,5-dimethylcyclohexane-1,3-dione, 2-[1-(benzenesulfonyl)piperidine-4-carbonyl]-5,5-dimethyl-cyclohexane-1,3-dione, 5,5-DIMETHYL-2-((1-(PHENYLSULFONYL)-4-PIPERIDINYL)CARBONYL)-1,3-CYCLOHEXANEDIONE
| Molecular Formula | C20H25NO5S |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | 2.2308 |
| Topological Polar Surface Area | 88.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.14536 |
| Heavy Atoms | 27 |
| Complexity | 831.6181 |
Chemical Identifiers
| CAS Number | 478041-53-1 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C |
Product Overview
5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione (CAS 478041-53-1), with molecular formula C20H25NO5S and molecular weight 391.15 g/mol. IUPAC: 2-[1-(benzenesulfonyl)piperidine-4-carbonyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione
Property Insights of 5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione
The XLogP value of 2.2308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione. The TPSA of 88.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione. Following Lipinski's Rule of Five, 5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione 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 5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione?
The CAS number of 5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione is 478041-53-1.
What is the molecular formula of 5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione?
The molecular formula of 5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione is C20H25NO5S.
What is the molecular weight of 5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione?
The molecular weight of 5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione is 391.15 g/mol.
Where can I buy 5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione?
You can request a quote for 5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.