3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
TL;DR: 3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one (CAS 114439-72-4) is a chemical compound with molecular formula C22H17NO3 and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzoyl-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one
Also Known As: 2,3-Dihydro-3-benzoyl-2-(4-methylphenyl)-4H-1,3-benzoxazin-4-one, 3-(Benzoyl)-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one, 3-benzoyl-2-(4-methylphenyl)-2,3-dihydro-4h-1,3-benzoxazin-4-one, 3-benzoyl-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one, 4H-1,3-BENZOXAZIN-4-ONE, 2,3-DIHYDRO-3-BENZOYL-2-(4-METHYLPHENYL)-
| Molecular Formula | C22H17NO3 |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.12085 |
| Heavy Atoms | 26 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 114439-72-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2N(C(=O)C3=CC=CC=C3O2)C(=O)C4=CC=CC=C4 |
| InChIKey | DZFSABKQLNSTHG-UHFFFAOYSA-N |
Product Overview
3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one (CAS 114439-72-4), with molecular formula C22H17NO3 and molecular weight 343.12 g/mol. IUPAC: 3-benzoyl-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one.
Chemical Property Profile of 3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
Property Insights of 3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
The XLogP value of 4.6 indicates that 3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-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 3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one?
The CAS number of 3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one is 114439-72-4.
What is the molecular formula of 3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one?
The molecular formula of 3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one is C22H17NO3.
What is the molecular weight of 3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one?
The molecular weight of 3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one is 343.12 g/mol.
Where can I buy 3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one?
You can request a quote for 3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.