![2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]- structure](/static/products/814/81447-35-0.png)
2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-
TL;DR: 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]- (CAS 81447-35-0) is a chemical compound with molecular formula C12H14O5S and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dioxopentan-3-yl 4-methylbenzenesulfonate
Also Known As: 3-tosyloxypentane-2,4-dione, 3-(Tosyloxy)-2,4-pentanedione, 3-(Tosyloxy)pentane-2,4-dione, 2,4-dioxopentan-3-yl 4-methylbenzenesulfonate, 1-acetyl-2-oxopropyl 4-methylbenzenesulfonate
| Molecular Formula | C12H14O5S |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 1.24692 |
| Topological Polar Surface Area | 77.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.05618 |
| Heavy Atoms | 18 |
| Complexity | 542.6355 |
Chemical Identifiers
| CAS Number | 81447-35-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC(C(=O)C)C(=O)C |
Product Overview
2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]- (CAS 81447-35-0), with molecular formula C12H14O5S and molecular weight 270.06 g/mol. IUPAC: 2,4-dioxopentan-3-yl 4-methylbenzenesulfonate.
Chemical Property Profile of 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-
Property Insights of 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-
The XLogP value of 1.24692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-. The TPSA of 77.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-. Following Lipinski's Rule of Five, 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]- 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 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-?
The CAS number of 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]- is 81447-35-0.
What is the molecular formula of 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-?
The molecular formula of 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]- is C12H14O5S.
What is the molecular weight of 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-?
The molecular weight of 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]- is 270.06 g/mol.
Where can I buy 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-?
You can request a quote for 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.