4-hydroxy-2(3H)-benzoxazolone
TL;DR: 4-hydroxy-2(3H)-benzoxazolone (CAS 28955-70-6) is a chemical compound with molecular formula C7H5NO3 and molecular weight 151.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3H-1,3-benzoxazol-2-one
Also Known As: Hydroxybenzoxazolon, 2(3H)-Benzoxazolone, 4-hydroxy-, 4-Hydroxybenzoxazolone, 1,3-benzoxazole-2,4-diol, 4-hydroxy-2(3H)-benzoxazolone
| Molecular Formula | C7H5NO3 |
|---|---|
| Molecular Weight | 151.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.02695 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 28955-70-6 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)OC(=O)N2)O |
| InChIKey | SXQYJGZBZLNTLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-hydroxy-2(3H)-benzoxazolone (CAS 28955-70-6), with molecular formula C7H5NO3 and molecular weight 151.03 g/mol. IUPAC: 4-hydroxy-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 4-hydroxy-2(3H)-benzoxazolone
Property Insights of 4-hydroxy-2(3H)-benzoxazolone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxy-2(3H)-benzoxazolone. With a topological polar surface area (TPSA) of 58.6 Ų, 4-hydroxy-2(3H)-benzoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-hydroxy-2(3H)-benzoxazolone has 2 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 4-hydroxy-2(3H)-benzoxazolone?
The CAS number of 4-hydroxy-2(3H)-benzoxazolone is 28955-70-6.
What is the molecular formula of 4-hydroxy-2(3H)-benzoxazolone?
The molecular formula of 4-hydroxy-2(3H)-benzoxazolone is C7H5NO3.
What is the molecular weight of 4-hydroxy-2(3H)-benzoxazolone?
The molecular weight of 4-hydroxy-2(3H)-benzoxazolone is 151.03 g/mol.
Where can I buy 4-hydroxy-2(3H)-benzoxazolone?
You can request a quote for 4-hydroxy-2(3H)-benzoxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxy-2(3H)-benzoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-2(3H)-benzoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.