5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one
TL;DR: 5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one (CAS 58404-93-6) is a chemical compound with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-3-chloro-6-methylpyran-2-one
Also Known As: 5-acetyl-3-chloro-6-methyl-pyran-2-one, 5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one, 5-acetyl-3-chloro-6-methylpyran-2-one, 663-232-7, RefChem:531895
| Molecular Formula | C8H7ClO3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 1.80422 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.00838 |
| Heavy Atoms | 12 |
| Complexity | 378.37964 |
Chemical Identifiers
| CAS Number | 58404-93-6 |
|---|---|
| SMILES | CC1=C(C=C(C(=O)O1)Cl)C(=O)C |
Product Overview
5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one (CAS 58404-93-6), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: 5-acetyl-3-chloro-6-methylpyran-2-one.
Chemical Property Profile of 5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one
Property Insights of 5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one
The XLogP value of 1.80422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one. With a topological polar surface area (TPSA) of 47.28 Ų, 5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one has 0 hydrogen bond donor(s) and 3 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 5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one?
The CAS number of 5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one is 58404-93-6.
What is the molecular formula of 5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one?
The molecular formula of 5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one is C8H7ClO3.
What is the molecular weight of 5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one?
The molecular weight of 5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one is 186.01 g/mol.
Where can I buy 5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one?
You can request a quote for 5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-3-chloro-6-methyl-2H-pyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.