1-(Phenylsulfonyl)pentane-2,4-dione
TL;DR: 1-(Phenylsulfonyl)pentane-2,4-dione (CAS 71980-89-7) is a chemical compound with molecular formula C11H12O4S and molecular weight 240.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)pentane-2,4-dione
Also Known As: 1-(phenylsulfonyl)pentane-2,4-dione, 1-(benzenesulfonyl)pentane-2,4-dione, 1-Benzolsulfonyl-pentan-2,4-dion, KST-1B8040, 5-Phenylsulfonyl-pentandion-(2,4)
| Molecular Formula | C11H12O4S |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.04562 |
| Heavy Atoms | 16 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 71980-89-7 |
|---|---|
| SMILES | CC(=O)CC(=O)CS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | LNUFRWSIOWEPJV-UHFFFAOYSA-N |
Product Overview
1-(Phenylsulfonyl)pentane-2,4-dione (CAS 71980-89-7), with molecular formula C11H12O4S and molecular weight 240.05 g/mol. IUPAC: 1-(benzenesulfonyl)pentane-2,4-dione.
Chemical Property Profile of 1-(Phenylsulfonyl)pentane-2,4-dione
Property Insights of 1-(Phenylsulfonyl)pentane-2,4-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenylsulfonyl)pentane-2,4-dione. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Phenylsulfonyl)pentane-2,4-dione. Following Lipinski's Rule of Five, 1-(Phenylsulfonyl)pentane-2,4-dione has 0 hydrogen bond donor(s) and 4 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 1-(Phenylsulfonyl)pentane-2,4-dione?
The CAS number of 1-(Phenylsulfonyl)pentane-2,4-dione is 71980-89-7.
What is the molecular formula of 1-(Phenylsulfonyl)pentane-2,4-dione?
The molecular formula of 1-(Phenylsulfonyl)pentane-2,4-dione is C11H12O4S.
What is the molecular weight of 1-(Phenylsulfonyl)pentane-2,4-dione?
The molecular weight of 1-(Phenylsulfonyl)pentane-2,4-dione is 240.05 g/mol.
Where can I buy 1-(Phenylsulfonyl)pentane-2,4-dione?
You can request a quote for 1-(Phenylsulfonyl)pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylsulfonyl)pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylsulfonyl)pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.