2-(2-Methylanilino)-3,1-benzoxazin-4-one
TL;DR: 2-(2-Methylanilino)-3,1-benzoxazin-4-one (CAS 81905-00-2) is a chemical compound with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylanilino)-3,1-benzoxazin-4-one
Also Known As: 2-(2-methylanilino)-3,1-benzoxazin-4-one, 2-(o-tolylamino)-[3,1]benzoxazin-4-one, 2-o-Tolylamino-benzo[d][1,3]oxazin-4-one, 2-(2-Methylanilino)-4H-3,1-benzoxazin-4-one, 2-(2-Methylanilino)-4H-3,1-benzooxazine-4-one
| Molecular Formula | C15H12N2O2 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 3.24002 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.08987 |
| Heavy Atoms | 19 |
| Complexity | 793.2526 |
Chemical Identifiers
| CAS Number | 81905-00-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=O)O2 |
Product Overview
2-(2-Methylanilino)-3,1-benzoxazin-4-one (CAS 81905-00-2), with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol. IUPAC: 2-(2-methylanilino)-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-(2-Methylanilino)-3,1-benzoxazin-4-one
Property Insights of 2-(2-Methylanilino)-3,1-benzoxazin-4-one
The XLogP value of 3.24002 indicates that 2-(2-Methylanilino)-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.13 Ų, 2-(2-Methylanilino)-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Methylanilino)-3,1-benzoxazin-4-one has 1 hydrogen bond donor(s) and 4 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-(2-Methylanilino)-3,1-benzoxazin-4-one?
The CAS number of 2-(2-Methylanilino)-3,1-benzoxazin-4-one is 81905-00-2.
What is the molecular formula of 2-(2-Methylanilino)-3,1-benzoxazin-4-one?
The molecular formula of 2-(2-Methylanilino)-3,1-benzoxazin-4-one is C15H12N2O2.
What is the molecular weight of 2-(2-Methylanilino)-3,1-benzoxazin-4-one?
The molecular weight of 2-(2-Methylanilino)-3,1-benzoxazin-4-one is 252.09 g/mol.
Where can I buy 2-(2-Methylanilino)-3,1-benzoxazin-4-one?
You can request a quote for 2-(2-Methylanilino)-3,1-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-(2-Methylanilino)-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methylanilino)-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.