2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one
TL;DR: 2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one (CAS 1738-63-2) is a chemical compound with molecular formula C12H10ClNO2 and molecular weight 235.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one
Also Known As: ASN 10208350, 2-(4-Chloro-phenyl)-4-isopropylidene-4H-oxazol-5-one, 2-(4-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one
| Molecular Formula | C12H10ClNO2 |
|---|---|
| Molecular Weight | 235.04 g/mol |
| LogP | 2.9373 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.04001 |
| Heavy Atoms | 16 |
| Complexity | 496.25497 |
Chemical Identifiers
| CAS Number | 1738-63-2 |
|---|---|
| SMILES | CC(=C1C(=O)OC(=N1)C2=CC=C(C=C2)Cl)C |
Product Overview
2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one (CAS 1738-63-2), with molecular formula C12H10ClNO2 and molecular weight 235.04 g/mol. IUPAC: 2-(4-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one.
Chemical Property Profile of 2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one
Property Insights of 2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one
The XLogP value of 2.9373 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one. With a topological polar surface area (TPSA) of 38.66 Ų, 2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-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 2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one?
The CAS number of 2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one is 1738-63-2.
What is the molecular formula of 2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one?
The molecular formula of 2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one is C12H10ClNO2.
What is the molecular weight of 2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one?
The molecular weight of 2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one is 235.04 g/mol.
Where can I buy 2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one?
You can request a quote for 2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.