![1,2-Propanedione, 1-[4-(acetyloxy)phenyl]- structure](/static/products/1122/112211-59-3.webp)
1,2-Propanedione, 1-[4-(acetyloxy)phenyl]-
TL;DR: 1,2-Propanedione, 1-[4-(acetyloxy)phenyl]- (CAS 112211-59-3) is a chemical compound with molecular formula C11H10O4 and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-oxopropanoyl)phenyl] acetate
Also Known As: [4-(2-oxopropanoyl)phenyl] acetate, 4-(2-oxopropanoyl)phenyl acetate, 1,2-Propanedione, 1-[4-(acetyloxy)phenyl]-, 1,2-Propanedione,1-[4-(acetyloxy)phenyl]
| Molecular Formula | C11H10O4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.3836 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.0579 |
| Heavy Atoms | 15 |
| Complexity | 403.101 |
Chemical Identifiers
| CAS Number | 112211-59-3 |
|---|---|
| SMILES | CC(=O)C(=O)C1=CC=C(C=C1)OC(=O)C |
Product Overview
1,2-Propanedione, 1-[4-(acetyloxy)phenyl]- (CAS 112211-59-3), with molecular formula C11H10O4 and molecular weight 206.06 g/mol. IUPAC: [4-(2-oxopropanoyl)phenyl] acetate.
Chemical Property Profile of 1,2-Propanedione, 1-[4-(acetyloxy)phenyl]-
Property Insights of 1,2-Propanedione, 1-[4-(acetyloxy)phenyl]-
The XLogP value of 1.3836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanedione, 1-[4-(acetyloxy)phenyl]-. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Propanedione, 1-[4-(acetyloxy)phenyl]-. Following Lipinski's Rule of Five, 1,2-Propanedione, 1-[4-(acetyloxy)phenyl]- 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 1,2-Propanedione, 1-[4-(acetyloxy)phenyl]-?
The CAS number of 1,2-Propanedione, 1-[4-(acetyloxy)phenyl]- is 112211-59-3.
What is the molecular formula of 1,2-Propanedione, 1-[4-(acetyloxy)phenyl]-?
The molecular formula of 1,2-Propanedione, 1-[4-(acetyloxy)phenyl]- is C11H10O4.
What is the molecular weight of 1,2-Propanedione, 1-[4-(acetyloxy)phenyl]-?
The molecular weight of 1,2-Propanedione, 1-[4-(acetyloxy)phenyl]- is 206.06 g/mol.
Where can I buy 1,2-Propanedione, 1-[4-(acetyloxy)phenyl]-?
You can request a quote for 1,2-Propanedione, 1-[4-(acetyloxy)phenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Propanedione, 1-[4-(acetyloxy)phenyl]-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanedione, 1-[4-(acetyloxy)phenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.