4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime
TL;DR: 4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime (CAS 308293-55-2) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino] 4-methylbenzoate
Also Known As: 4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime, AN-329/41190147, [(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino] 4-methylbenzoate, (1Z,3E)-2-methyl-4-phenyl-1-azabuta-1,3-dienyl 4-methylbenzoate, (4-methylphenyl)({[(2Z,3E)-4-phenylbut-3-en-2-ylidene]amino}oxy)methanone
| Molecular Formula | C18H17NO2 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 4.24112 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.12592 |
| Heavy Atoms | 21 |
| Complexity | 655.3775 |
Chemical Identifiers
| CAS Number | 308293-55-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)O/N=C(/C)\C=C\C2=CC=CC=C2 |
Product Overview
4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime (CAS 308293-55-2), with molecular formula C18H17NO2 and molecular weight 279.13 g/mol. IUPAC: [(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino] 4-methylbenzoate.
Chemical Property Profile of 4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime
Property Insights of 4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime
The XLogP value of 4.24112 indicates that 4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, 4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime 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-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime?
The CAS number of 4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime is 308293-55-2.
What is the molecular formula of 4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime?
The molecular formula of 4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime is C18H17NO2.
What is the molecular weight of 4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime?
The molecular weight of 4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime is 279.13 g/mol.
Where can I buy 4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime?
You can request a quote for 4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-3-buten-2-one O-(4-methylbenzoyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.