4-(Chloromethylene)-2-phenyl-2-oxazolin-5-one
TL;DR: 4-(Chloromethylene)-2-phenyl-2-oxazolin-5-one (CAS 89363-86-0) is a chemical compound with molecular formula C10H6ClNO2 and molecular weight 207.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one
Also Known As: 4-(chloromethylene)-2-phenyl-2-oxazolin-5-one, 5(4H)-Oxazolone, 4-(chloromethylene)-2-phenyl-, (E)-, 5(4H)-Oxazolone, 4-(chloromethylene)-2-phenyl-, (Z)-
| Molecular Formula | C10H6ClNO2 |
|---|---|
| Molecular Weight | 207.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.00871 |
| Heavy Atoms | 14 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 89363-86-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=CCl)C(=O)O2 |
| InChIKey | FSFZBUCNVBXRQH-UHFFFAOYSA-N |
Product Overview
4-(Chloromethylene)-2-phenyl-2-oxazolin-5-one (CAS 89363-86-0), with molecular formula C10H6ClNO2 and molecular weight 207.01 g/mol. IUPAC: 4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one.
Chemical Property Profile of 4-(Chloromethylene)-2-phenyl-2-oxazolin-5-one
Property Insights of 4-(Chloromethylene)-2-phenyl-2-oxazolin-5-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Chloromethylene)-2-phenyl-2-oxazolin-5-one. With a topological polar surface area (TPSA) of 38.7 Ų, 4-(Chloromethylene)-2-phenyl-2-oxazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Chloromethylene)-2-phenyl-2-oxazolin-5-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 4-(Chloromethylene)-2-phenyl-2-oxazolin-5-one?
The CAS number of 4-(Chloromethylene)-2-phenyl-2-oxazolin-5-one is 89363-86-0.
What is the molecular formula of 4-(Chloromethylene)-2-phenyl-2-oxazolin-5-one?
The molecular formula of 4-(Chloromethylene)-2-phenyl-2-oxazolin-5-one is C10H6ClNO2.
What is the molecular weight of 4-(Chloromethylene)-2-phenyl-2-oxazolin-5-one?
The molecular weight of 4-(Chloromethylene)-2-phenyl-2-oxazolin-5-one is 207.01 g/mol.
Where can I buy 4-(Chloromethylene)-2-phenyl-2-oxazolin-5-one?
You can request a quote for 4-(Chloromethylene)-2-phenyl-2-oxazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chloromethylene)-2-phenyl-2-oxazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethylene)-2-phenyl-2-oxazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.