3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione
TL;DR: 3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione (CAS 7133-79-1) is a chemical compound with molecular formula C15H11NO3 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione
Also Known As: 3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione, 3-(p-tolyl)-1,3-benzoxazine-2,4-dione, J1.247.497K, 2h-1,3-benzoxazine-2,4(3h)-dione,3-(4-methylphenyl)-, 3-(4-Methylphenyl)-2H-1,3-benzoxazine-2,4(3H)-dione
| Molecular Formula | C15H11NO3 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.0739 |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 7133-79-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3OC2=O |
| InChIKey | SORYQVTVJSQUPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione (CAS 7133-79-1), with molecular formula C15H11NO3 and molecular weight 253.07 g/mol. IUPAC: 3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione.
Chemical Property Profile of 3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione
Property Insights of 3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione
The XLogP value of 3.1 indicates that 3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione 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-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione 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-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione?
The CAS number of 3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione is 7133-79-1.
What is the molecular formula of 3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione?
The molecular formula of 3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione is C15H11NO3.
What is the molecular weight of 3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione?
The molecular weight of 3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione is 253.07 g/mol.
Where can I buy 3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione?
You can request a quote for 3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.