2-(4-methoxyphenyl)-4H-1,3-benzoxazin-4-one
TL;DR: 2-(4-methoxyphenyl)-4H-1,3-benzoxazin-4-one (CAS 25225-61-0) 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.
2-(4-methoxyphenyl)-1,3-benzoxazin-4-one
Also Known As: ChemDiv3_001139, 2-(4-methoxyphenyl)-4H-1,3-benzoxazin-4-one, 2-(4-methoxyphenyl)-4H-benzo[e][1,3]oxazin-4-one, IDI1_020105, 2-(4-methoxyphenyl)-1,3-benzoxazin-4-one
| Molecular Formula | C15H11NO3 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.0739 |
| Heavy Atoms | 19 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 25225-61-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=O)C3=CC=CC=C3O2 |
| InChIKey | DDGHMXAZQIPINI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-methoxyphenyl)-4H-1,3-benzoxazin-4-one (CAS 25225-61-0), with molecular formula C15H11NO3 and molecular weight 253.07 g/mol. IUPAC: 2-(4-methoxyphenyl)-1,3-benzoxazin-4-one.
Chemical Property Profile of 2-(4-methoxyphenyl)-4H-1,3-benzoxazin-4-one
Property Insights of 2-(4-methoxyphenyl)-4H-1,3-benzoxazin-4-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-methoxyphenyl)-4H-1,3-benzoxazin-4-one. With a topological polar surface area (TPSA) of 47.9 Ų, 2-(4-methoxyphenyl)-4H-1,3-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-methoxyphenyl)-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 2-(4-methoxyphenyl)-4H-1,3-benzoxazin-4-one?
The CAS number of 2-(4-methoxyphenyl)-4H-1,3-benzoxazin-4-one is 25225-61-0.
What is the molecular formula of 2-(4-methoxyphenyl)-4H-1,3-benzoxazin-4-one?
The molecular formula of 2-(4-methoxyphenyl)-4H-1,3-benzoxazin-4-one is C15H11NO3.
What is the molecular weight of 2-(4-methoxyphenyl)-4H-1,3-benzoxazin-4-one?
The molecular weight of 2-(4-methoxyphenyl)-4H-1,3-benzoxazin-4-one is 253.07 g/mol.
Where can I buy 2-(4-methoxyphenyl)-4H-1,3-benzoxazin-4-one?
You can request a quote for 2-(4-methoxyphenyl)-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 2-(4-methoxyphenyl)-4H-1,3-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methoxyphenyl)-4H-1,3-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.