2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine
TL;DR: 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine (CAS 52836-31-4) is a chemical compound with molecular formula C8H13Cl2NO2 and molecular weight 225.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)ethanone
Also Known As: 3-(Dichloroacetyl)-2,2,5-trimethyloxazolidine, 2,2,5-Trimethyl-3-dichloroacetyl-1,3-oxazolidine, 2,2-Dichloro-1-(2,2,5-trimethyloxazolidin-3-yl)ethanone, 2,2,5-trimethyl-3-dichloroacetyl oxazolidine, R 29148
| Molecular Formula | C8H13Cl2NO2 |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.03233 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 52836-31-4 |
|---|---|
| SMILES | CC1CN(C(O1)(C)C)C(=O)C(Cl)Cl |
| InChIKey | YNQSILKYZQZHFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine (CAS 52836-31-4), with molecular formula C8H13Cl2NO2 and molecular weight 225.03 g/mol. IUPAC: 2,2-dichloro-1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)ethanone.
Chemical Property Profile of 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine
Property Insights of 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine. With a topological polar surface area (TPSA) of 29.5 Ų, 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine has 0 hydrogen bond donor(s) and 2 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 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine?
The CAS number of 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine is 52836-31-4.
What is the molecular formula of 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine?
The molecular formula of 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine is C8H13Cl2NO2.
What is the molecular weight of 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine?
The molecular weight of 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine is 225.03 g/mol.
Where can I buy 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine?
You can request a quote for 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine?
Yes, KEHONG BIO provides custom synthesis services for 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.