1H-2,3-Benzoxazin-1-one
TL;DR: 1H-2,3-Benzoxazin-1-one (CAS 611-31-4) is a chemical compound with molecular formula C8H5NO2 and molecular weight 147.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-benzoxazin-1-one
Also Known As: benzoxazinone, 1H-2,3-Benzoxazin-1-one, 2,3-benzoxazin-1-one, benzo[d][1,2]oxazin-1-one, o-Benzaldehyde oxime carboxylic anhydride
| Molecular Formula | C8H5NO2 |
|---|---|
| Molecular Weight | 147.03 g/mol |
| LogP | 1.188 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.03203 |
| Heavy Atoms | 11 |
| Complexity | 427.79016 |
Chemical Identifiers
| CAS Number | 611-31-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NOC2=O |
Product Overview
1H-2,3-Benzoxazin-1-one (CAS 611-31-4), with molecular formula C8H5NO2 and molecular weight 147.03 g/mol. IUPAC: 2,3-benzoxazin-1-one.
Chemical Property Profile of 1H-2,3-Benzoxazin-1-one
Property Insights of 1H-2,3-Benzoxazin-1-one
The XLogP value of 1.188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-2,3-Benzoxazin-1-one. With a topological polar surface area (TPSA) of 43.1 Ų, 1H-2,3-Benzoxazin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-2,3-Benzoxazin-1-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 1H-2,3-Benzoxazin-1-one?
The CAS number of 1H-2,3-Benzoxazin-1-one is 611-31-4.
What is the molecular formula of 1H-2,3-Benzoxazin-1-one?
The molecular formula of 1H-2,3-Benzoxazin-1-one is C8H5NO2.
What is the molecular weight of 1H-2,3-Benzoxazin-1-one?
The molecular weight of 1H-2,3-Benzoxazin-1-one is 147.03 g/mol.
Where can I buy 1H-2,3-Benzoxazin-1-one?
You can request a quote for 1H-2,3-Benzoxazin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-2,3-Benzoxazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1H-2,3-Benzoxazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.