3-Chloro-4,4-dimethyl-2-oxazolidinone
TL;DR: 3-Chloro-4,4-dimethyl-2-oxazolidinone (CAS 58629-01-9) is a chemical compound with molecular formula C5H8ClNO2 and molecular weight 149.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4,4-dimethyl-1,3-oxazolidin-2-one
Also Known As: Agent I, 3-Chloro-4,4-dimethyl-2-oxazolidinone, 3-chloro-4,4-dimethyl-1,3-oxazolidin-2-one, 2-Oxazolidinone,3-chloro-4,4-dimethyl-, 2-Oxazolidinone, 3-chloro-4,4-dimethyl-
| Molecular Formula | C5H8ClNO2 |
|---|---|
| Molecular Weight | 149.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.02435 |
| Heavy Atoms | 9 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 58629-01-9 |
|---|---|
| SMILES | CC1(COC(=O)N1Cl)C |
| InChIKey | HUPNLWZFGMGNKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-4,4-dimethyl-2-oxazolidinone (CAS 58629-01-9), with molecular formula C5H8ClNO2 and molecular weight 149.02 g/mol. IUPAC: 3-chloro-4,4-dimethyl-1,3-oxazolidin-2-one.
Chemical Property Profile of 3-Chloro-4,4-dimethyl-2-oxazolidinone
Property Insights of 3-Chloro-4,4-dimethyl-2-oxazolidinone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4,4-dimethyl-2-oxazolidinone. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Chloro-4,4-dimethyl-2-oxazolidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4,4-dimethyl-2-oxazolidinone 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 3-Chloro-4,4-dimethyl-2-oxazolidinone?
The CAS number of 3-Chloro-4,4-dimethyl-2-oxazolidinone is 58629-01-9.
What is the molecular formula of 3-Chloro-4,4-dimethyl-2-oxazolidinone?
The molecular formula of 3-Chloro-4,4-dimethyl-2-oxazolidinone is C5H8ClNO2.
What is the molecular weight of 3-Chloro-4,4-dimethyl-2-oxazolidinone?
The molecular weight of 3-Chloro-4,4-dimethyl-2-oxazolidinone is 149.02 g/mol.
Where can I buy 3-Chloro-4,4-dimethyl-2-oxazolidinone?
You can request a quote for 3-Chloro-4,4-dimethyl-2-oxazolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4,4-dimethyl-2-oxazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4,4-dimethyl-2-oxazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.