3,3-Dichlorooxan-2-yl acetate
TL;DR: 3,3-Dichlorooxan-2-yl acetate (CAS 141942-54-3) is a chemical compound with molecular formula C7H10Cl2O3 and molecular weight 212.0007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,3-dichlorooxan-2-yl) acetate
Also Known As: 3,3-dichlorooxan-2-yl acetate, (3,3-dichlorooxan-2-yl) acetate, 2-ACETOXY-3,3-DICHLOROTETRAHYDROPYRAN, 2-ACETOXY-3,3-DICHLOROTETRAHYDROPYRAN, 96, 3,3-dichlorotetrahydro-2H-pyran-2-yl acetate
Technical Specifications
| Molecular Formula | C7H10Cl2O3 |
| Molecular Weight | 212.0007 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.0007 Da |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
| SMILES | CC(=O)OC1C(CCCO1)(Cl)Cl |
| InChIKey | NVEIBZFEVMVCPU-UHFFFAOYSA-N |
Chemical Property Profile of 3,3-Dichlorooxan-2-yl acetate
Property Insights of 3,3-Dichlorooxan-2-yl acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dichlorooxan-2-yl acetate. With a topological polar surface area (TPSA) of 35.5 Ų, 3,3-Dichlorooxan-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dichlorooxan-2-yl acetate 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
What is the CAS number of 3,3-Dichlorooxan-2-yl acetate?
The CAS number of 3,3-Dichlorooxan-2-yl acetate is 141942-54-3.
What is the molecular formula of 3,3-Dichlorooxan-2-yl acetate?
The molecular formula of 3,3-Dichlorooxan-2-yl acetate is C7H10Cl2O3.
What is the molecular weight of 3,3-Dichlorooxan-2-yl acetate?
The molecular weight of 3,3-Dichlorooxan-2-yl acetate is 212.0007 g/mol.
Where can I buy 3,3-Dichlorooxan-2-yl acetate?
You can request a quote for 3,3-Dichlorooxan-2-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3-Dichlorooxan-2-yl acetate?
Yes, CoreyChem provides custom synthesis services for 3,3-Dichlorooxan-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.