2(3H)-Benzoxazolone
TL;DR: 2(3H)-Benzoxazolone (CAS 59-49-4) is a chemical compound with molecular formula C7H5NO2 and molecular weight 135.03203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3H-1,3-benzoxazol-2-one
Also Known As: 2-BENZOXAZOLINONE, Benzoxazolone, Benzoxazolinone, 2(3H)-Benzoxazolone, 2-Hydroxybenzoxazole
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5NO2 |
| Molecular Weight | 135.03203 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.03203 Da |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
| Melting Point | 141 - 142 °C |
| Boiling Point | 335.00 °C. @ 760.00 mm Hg |
| Solubility | >20.3 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | C1=CC=C2C(=C1)NC(=O)O2 |
| InChIKey | ASSKVPFEZFQQNQ-UHFFFAOYSA-N |
Product Description
Applications: 2(3H)-Benzoxazolone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2(3H)-Benzoxazolone (CAS 59-49-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2(3H)-Benzoxazolone (CAS 59-49-4) is a heterocyclic building block with the molecular formula C7H5NO2 and a molecular weight of 135.03 g/mol. Key physical properties include a solubility: >20.3 [ug/mL] (The mean of the results at pH 7.4). It is also known as 2-BENZOXAZOLINONE and Benzoxazolone.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2(3H)-Benzoxazolone
Property Insights of 2(3H)-Benzoxazolone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone. With a topological polar surface area (TPSA) of 38.3 Ų, 2(3H)-Benzoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2(3H)-Benzoxazolone?
The CAS number of 2(3H)-Benzoxazolone is 59-49-4.
What is the molecular formula of 2(3H)-Benzoxazolone?
The molecular formula of 2(3H)-Benzoxazolone is C7H5NO2.
What is the molecular weight of 2(3H)-Benzoxazolone?
The molecular weight of 2(3H)-Benzoxazolone is 135.03203 g/mol.
What are the applications of 2(3H)-Benzoxazolone?
2(3H)-Benzoxazolone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2(3H)-Benzoxazolone (CAS 59-49-4)...
Where can I buy 2(3H)-Benzoxazolone?
You can request a quote for 2(3H)-Benzoxazolone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2(3H)-Benzoxazolone?
Yes, CoreyChem provides custom synthesis services for 2(3H)-Benzoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.