3-Benzoyl-5-phenyl-2-isoxazoline
TL;DR: 3-Benzoyl-5-phenyl-2-isoxazoline (CAS 7064-02-0) is a chemical compound with molecular formula C26H28N4O4S2 and molecular weight 524.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1-propylpyridine-3-carbonitrile
Also Known As: 3-Benzoyl-5-phenyl-2-isoxazoline, 5-({3-[(4-Methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-6-(morpholin-4-yl)-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile, 5-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1-propylpyridine-3-carbonitrile, 5-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-thiazolidin-5-ylidene]methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1-propyl-pyridine-3-carbonitrile
| Molecular Formula | C26H28N4O4S2 |
|---|---|
| Molecular Weight | 524.16 g/mol |
| LogP | 3.685 |
| Topological Polar Surface Area | 87.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 524.1552 |
| Heavy Atoms | 36 |
| Complexity | 1305.195 |
Chemical Identifiers
| CAS Number | 7064-02-0 |
|---|---|
| SMILES | CCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC3=CC=C(C=C3)OC)N4CCOCC4 |
Product Overview
3-Benzoyl-5-phenyl-2-isoxazoline (CAS 7064-02-0), with molecular formula C26H28N4O4S2 and molecular weight 524.16 g/mol. IUPAC: 5-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1-propylpyridine-3-carbonitrile.
Chemical Property Profile of 3-Benzoyl-5-phenyl-2-isoxazoline
Property Insights of 3-Benzoyl-5-phenyl-2-isoxazoline
The XLogP value of 3.685 indicates that 3-Benzoyl-5-phenyl-2-isoxazoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzoyl-5-phenyl-2-isoxazoline. Following Lipinski's Rule of Five, 3-Benzoyl-5-phenyl-2-isoxazoline has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Benzoyl-5-phenyl-2-isoxazoline?
The CAS number of 3-Benzoyl-5-phenyl-2-isoxazoline is 7064-02-0.
What is the molecular formula of 3-Benzoyl-5-phenyl-2-isoxazoline?
The molecular formula of 3-Benzoyl-5-phenyl-2-isoxazoline is C26H28N4O4S2.
What is the molecular weight of 3-Benzoyl-5-phenyl-2-isoxazoline?
The molecular weight of 3-Benzoyl-5-phenyl-2-isoxazoline is 524.16 g/mol.
Where can I buy 3-Benzoyl-5-phenyl-2-isoxazoline?
You can request a quote for 3-Benzoyl-5-phenyl-2-isoxazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoyl-5-phenyl-2-isoxazoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-5-phenyl-2-isoxazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.