(4Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one
TL;DR: (4Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one (CAS 36298-55-2) 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.
4-benzylidene-3-methyl-1,2-oxazol-5-one
Also Known As: Maybridge3_004332, NCIOpen2_000312, 3-methyl-4-benzylideneisoxazolin-5-one, 4-benzylidene-3-methyl-1,2-oxazol-5-one, 4-Benzylidene-3-methyl-2-isoxazolin-5-one
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 36298-55-2 |
|---|---|
| SMILES | CC1=NOC(=O)C1=CC2=CC=CC=C2 |
| InChIKey | KNHMTOFSFRMLRQ-UHFFFAOYSA-N |
Product Overview
(4Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one (CAS 36298-55-2), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 4-benzylidene-3-methyl-1,2-oxazol-5-one.
Chemical Property Profile of (4Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one
Property Insights of (4Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one. With a topological polar surface area (TPSA) of 38.7 Ų, (4Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4Z)-4-Benzylidene-3-methylisoxazol-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 (4Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one?
The CAS number of (4Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one is 36298-55-2.
What is the molecular formula of (4Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one?
The molecular formula of (4Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one is C11H9NO2.
What is the molecular weight of (4Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one?
The molecular weight of (4Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one is 187.06 g/mol.
Where can I buy (4Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one?
You can request a quote for (4Z)-4-Benzylidene-3-methylisoxazol-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 (4Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.