3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione
TL;DR: 3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione (CAS 13838-59-0) is a chemical compound with molecular formula C15H12O5 and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-5-benzoyl-6-methylpyran-2,4-dione
Also Known As: 3-acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione, 3-acetyl-5-benzoyl-6-methylpyran-2,4-dione, 3-acetyl-5-benzoyl-6-methyl-pyran-2,4-dione
| Molecular Formula | C15H12O5 |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.06848 |
| Heavy Atoms | 20 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 13838-59-0 |
|---|---|
| SMILES | CC1=C(C(=O)C(C(=O)O1)C(=O)C)C(=O)C2=CC=CC=C2 |
| InChIKey | QELXRILISOJPER-UHFFFAOYSA-N |
Product Overview
3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione (CAS 13838-59-0), with molecular formula C15H12O5 and molecular weight 272.07 g/mol. IUPAC: 3-acetyl-5-benzoyl-6-methylpyran-2,4-dione.
Chemical Property Profile of 3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione
Property Insights of 3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione. Following Lipinski's Rule of Five, 3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione 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 3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione?
The CAS number of 3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione is 13838-59-0.
What is the molecular formula of 3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione?
The molecular formula of 3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione is C15H12O5.
What is the molecular weight of 3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione?
The molecular weight of 3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione is 272.07 g/mol.
Where can I buy 3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione?
You can request a quote for 3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-5-benzoyl-6-methyl-2h-pyran-2,4(3h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.