3-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one
TL;DR: 3-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one (CAS 406927-69-3) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylidene-4H-1,4-benzoxazin-2-one
Also Known As: 3-methylidene-4H-1,4-benzoxazin-2-one, 3-methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one, 3-methylidene-3,4-dihydro-2H-1,4-benzoxazin-2-one, 2H-1,4-BENZOXAZIN-2-ONE, 3,4-DIHYDRO-3-METHYLENE-, 2H-1,4-Benzoxazin-2-one, 3,4-dihydro-3-methylene- (9CI)
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.5312 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 322.3011 |
Chemical Identifiers
| CAS Number | 406927-69-3 |
|---|---|
| SMILES | C=C1C(=O)OC2=CC=CC=C2N1 |
Product Overview
3-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one (CAS 406927-69-3), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 3-methylidene-4H-1,4-benzoxazin-2-one.
Chemical Property Profile of 3-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one
Property Insights of 3-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one
The XLogP value of 1.5312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one. With a topological polar surface area (TPSA) of 38.33 Ų, 3-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one has 1 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-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one?
The CAS number of 3-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one is 406927-69-3.
What is the molecular formula of 3-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one?
The molecular formula of 3-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one is C9H7NO2.
What is the molecular weight of 3-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one?
The molecular weight of 3-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one is 161.05 g/mol.
Where can I buy 3-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one?
You can request a quote for 3-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylene-3,4-dihydro-2h-1,4-benzoxazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.