(3E)-3-benzylidene-4H-1,4-benzoxazin-2-one
TL;DR: (3E)-3-benzylidene-4H-1,4-benzoxazin-2-one (CAS 350994-72-8) is a chemical compound with molecular formula C15H11NO2 and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-benzylidene-4H-1,4-benzoxazin-2-one
Also Known As: BIM-0022232.P001, (3E)-3-benzylidene-4H-1,4-benzoxazin-2-one, 3-(phenylmethylene)-4H-benzo[e]1,4-oxazin-2-one, (3E)-3-benzylidene-3,4-dihydro-2H-1,4-benzoxazin-2-one, 3-[(E)-1-phenylmethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
| Molecular Formula | C15H11NO2 |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.07898 |
| Heavy Atoms | 18 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 350994-72-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)OC3=CC=CC=C3N2 |
| InChIKey | HMHVUHCRTLAWHU-JLHYYAGUSA-N |
Product Overview
(3E)-3-benzylidene-4H-1,4-benzoxazin-2-one (CAS 350994-72-8), with molecular formula C15H11NO2 and molecular weight 237.08 g/mol. IUPAC: (3E)-3-benzylidene-4H-1,4-benzoxazin-2-one.
Chemical Property Profile of (3E)-3-benzylidene-4H-1,4-benzoxazin-2-one
Property Insights of (3E)-3-benzylidene-4H-1,4-benzoxazin-2-one
The XLogP value of 3.6 indicates that (3E)-3-benzylidene-4H-1,4-benzoxazin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, (3E)-3-benzylidene-4H-1,4-benzoxazin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-3-benzylidene-4H-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 (3E)-3-benzylidene-4H-1,4-benzoxazin-2-one?
The CAS number of (3E)-3-benzylidene-4H-1,4-benzoxazin-2-one is 350994-72-8.
What is the molecular formula of (3E)-3-benzylidene-4H-1,4-benzoxazin-2-one?
The molecular formula of (3E)-3-benzylidene-4H-1,4-benzoxazin-2-one is C15H11NO2.
What is the molecular weight of (3E)-3-benzylidene-4H-1,4-benzoxazin-2-one?
The molecular weight of (3E)-3-benzylidene-4H-1,4-benzoxazin-2-one is 237.08 g/mol.
Where can I buy (3E)-3-benzylidene-4H-1,4-benzoxazin-2-one?
You can request a quote for (3E)-3-benzylidene-4H-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 (3E)-3-benzylidene-4H-1,4-benzoxazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-benzylidene-4H-1,4-benzoxazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.