3-acetyl-3-chlorodihydrofuran-2(3H)-one
TL;DR: 3-acetyl-3-chlorodihydrofuran-2(3H)-one (CAS 2986-00-7) is a chemical compound with molecular formula C6H7ClO3 and molecular weight 162.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-3-chlorooxolan-2-one
Also Known As: 3-acetyl-3-chlorooxolan-2-one, 3-Acetyl-3-chlorodihydrofuranone, 3-Acetyl-3-chlorodihydrofuran-2(3H)-one, 3-ACETYL-3-CHLORO-DIHYDRO-FURAN-2-ONE, 2-Acetyl-2-chlorobutyrolactone
| Molecular Formula | C6H7ClO3 |
|---|---|
| Molecular Weight | 162.01 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.00838 |
| Heavy Atoms | 10 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 2986-00-7 |
|---|---|
| SMILES | CC(=O)C1(CCOC1=O)Cl |
| InChIKey | CYCRRRIREKXQTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-acetyl-3-chlorodihydrofuran-2(3H)-one (CAS 2986-00-7), with molecular formula C6H7ClO3 and molecular weight 162.01 g/mol. IUPAC: 3-acetyl-3-chlorooxolan-2-one.
Chemical Property Profile of 3-acetyl-3-chlorodihydrofuran-2(3H)-one
Property Insights of 3-acetyl-3-chlorodihydrofuran-2(3H)-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-3-chlorodihydrofuran-2(3H)-one. With a topological polar surface area (TPSA) of 43.4 Ų, 3-acetyl-3-chlorodihydrofuran-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-acetyl-3-chlorodihydrofuran-2(3H)-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 3-acetyl-3-chlorodihydrofuran-2(3H)-one?
The CAS number of 3-acetyl-3-chlorodihydrofuran-2(3H)-one is 2986-00-7.
What is the molecular formula of 3-acetyl-3-chlorodihydrofuran-2(3H)-one?
The molecular formula of 3-acetyl-3-chlorodihydrofuran-2(3H)-one is C6H7ClO3.
What is the molecular weight of 3-acetyl-3-chlorodihydrofuran-2(3H)-one?
The molecular weight of 3-acetyl-3-chlorodihydrofuran-2(3H)-one is 162.01 g/mol.
Where can I buy 3-acetyl-3-chlorodihydrofuran-2(3H)-one?
You can request a quote for 3-acetyl-3-chlorodihydrofuran-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-acetyl-3-chlorodihydrofuran-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-3-chlorodihydrofuran-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.