(4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone
TL;DR: (4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone (CAS 866157-29-1) is a chemical compound with molecular formula C12H14ClNO2 and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
Also Known As: 3-(4-chlorobenzoyl)-4,4-dimethyl-1,3-oxazolidine, (4-chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone, (4-chlorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone, (4-chlorophenyl)-(4,4-dimethyloxazolidin-3-yl)methanone
| Molecular Formula | C12H14ClNO2 |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 2.5485 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.0713 |
| Heavy Atoms | 16 |
| Complexity | 399.9847 |
Chemical Identifiers
| CAS Number | 866157-29-1 |
|---|---|
| SMILES | CC1(COCN1C(=O)C2=CC=C(C=C2)Cl)C |
Product Overview
(4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone (CAS 866157-29-1), with molecular formula C12H14ClNO2 and molecular weight 239.07 g/mol. IUPAC: (4-chlorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone.
Chemical Property Profile of (4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone
Property Insights of (4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone
The XLogP value of 2.5485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone. With a topological polar surface area (TPSA) of 29.54 Ų, (4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone 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 (4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone?
The CAS number of (4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone is 866157-29-1.
What is the molecular formula of (4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone?
The molecular formula of (4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone is C12H14ClNO2.
What is the molecular weight of (4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone?
The molecular weight of (4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone is 239.07 g/mol.
Where can I buy (4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone?
You can request a quote for (4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)(4,4-dimethyl-1,3-oxazolan-3-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.