2-isopropenyl-4H-3,1-benzoxazin-4-one
TL;DR: 2-isopropenyl-4H-3,1-benzoxazin-4-one (CAS 148779-67-3) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-1-en-2-yl-3,1-benzoxazin-4-one
Also Known As: ChemDiv2_003699, IDI1_002414, 2-isopropenyl-4H-3,1-benzoxazin-4-one, 2-prop-1-en-2-yl-3,1-benzoxazin-4-one, 2-(prop-1-en-2-yl)-4H-3,1-benzoxazin-4-one
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 148779-67-3 |
|---|---|
| SMILES | CC(=C)C1=NC2=CC=CC=C2C(=O)O1 |
| InChIKey | AZNRRSDDHIZUAV-UHFFFAOYSA-N |
Product Overview
2-isopropenyl-4H-3,1-benzoxazin-4-one (CAS 148779-67-3), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 2-prop-1-en-2-yl-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-isopropenyl-4H-3,1-benzoxazin-4-one
Property Insights of 2-isopropenyl-4H-3,1-benzoxazin-4-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-isopropenyl-4H-3,1-benzoxazin-4-one. With a topological polar surface area (TPSA) of 38.7 Ų, 2-isopropenyl-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-isopropenyl-4H-3,1-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-isopropenyl-4H-3,1-benzoxazin-4-one?
The CAS number of 2-isopropenyl-4H-3,1-benzoxazin-4-one is 148779-67-3.
What is the molecular formula of 2-isopropenyl-4H-3,1-benzoxazin-4-one?
The molecular formula of 2-isopropenyl-4H-3,1-benzoxazin-4-one is C11H9NO2.
What is the molecular weight of 2-isopropenyl-4H-3,1-benzoxazin-4-one?
The molecular weight of 2-isopropenyl-4H-3,1-benzoxazin-4-one is 187.06 g/mol.
Where can I buy 2-isopropenyl-4H-3,1-benzoxazin-4-one?
You can request a quote for 2-isopropenyl-4H-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-isopropenyl-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-isopropenyl-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.