2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one
TL;DR: 2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one (CAS 94108-63-1) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-benzylidene-2-methyl-1,3-oxazol-5-one
Also Known As: 4-Benzylidene-2-methyloxazol-5(4H)-one, 2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one, 4-benzylidene-2-methyl-4H-oxazol-5-one, 4-Benzylidene-2-methyl-2-oxazolin-5-one, EINECS 212-921-7
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 2.0027 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 418.1735 |
Chemical Identifiers
| CAS Number | 94108-63-1 |
|---|---|
| SMILES | CC1=N/C(=C/C2=CC=CC=C2)/C(=O)O1 |
Product Overview
2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one (CAS 94108-63-1), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: (4E)-4-benzylidene-2-methyl-1,3-oxazol-5-one.
Chemical Property Profile of 2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one
Property Insights of 2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one
The XLogP value of 2.0027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one. With a topological polar surface area (TPSA) of 38.66 Ų, 2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-(phenylmethylene)oxazol-5(4H)-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-Methyl-4-(phenylmethylene)oxazol-5(4H)-one?
The CAS number of 2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one is 94108-63-1.
What is the molecular formula of 2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one?
The molecular formula of 2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one is C11H9NO2.
What is the molecular weight of 2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one?
The molecular weight of 2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one is 187.06 g/mol.
Where can I buy 2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one?
You can request a quote for 2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.