4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione
TL;DR: 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione (CAS 71980-86-4) is a chemical compound with molecular formula C16H14O4S and molecular weight 302.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-1-phenylbutane-1,3-dione
Also Known As: 4-(benzenesulfonyl)-1-phenylbutane-1,3-dione, 1-phenyl-4-(phenylsulfonyl)butane-1,3-dione, 4-(benzenesulfonyl)-1-phenyl-butane-1,3-dione, 4-Benzolsulfonyl-1-phenyl-butandion-(1.3), 1-Phenyl-4-(phenylsulfonyl)-1,3-butanedione
| Molecular Formula | C16H14O4S |
|---|---|
| Molecular Weight | 302.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.06128 |
| Heavy Atoms | 21 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 71980-86-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)CS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | GGERDNRGHCSHJP-UHFFFAOYSA-N |
Product Overview
4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione (CAS 71980-86-4), with molecular formula C16H14O4S and molecular weight 302.06 g/mol. IUPAC: 4-(benzenesulfonyl)-1-phenylbutane-1,3-dione.
Chemical Property Profile of 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione
Property Insights of 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione. Following Lipinski's Rule of Five, 4-(Benzenesulfonyl)-1-phenylbutane-1,3-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 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione?
The CAS number of 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione is 71980-86-4.
What is the molecular formula of 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione?
The molecular formula of 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione is C16H14O4S.
What is the molecular weight of 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione?
The molecular weight of 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione is 302.06 g/mol.
Where can I buy 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione?
You can request a quote for 4-(Benzenesulfonyl)-1-phenylbutane-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 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.