2(3H)-Benzoxazolone, 6-hydroxy-
TL;DR: 2(3H)-Benzoxazolone, 6-hydroxy- (CAS 78213-03-3) 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.
6-hydroxy-3H-1,3-benzoxazol-2-one
Also Known As: 6-Hydroxy-2-benzoxazolinone, 6-hydroxy-3H-1,3-benzoxazol-2-one, 6-HYDROXYBENZO[D]OXAZOL-2(3H)-ONE, 2(3H)-Benzoxazolone,6-hydroxy-, 6-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 | 78213-03-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)OC(=O)N2 |
| InChIKey | XIYXDPMPFOQCFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2(3H)-Benzoxazolone, 6-hydroxy- (CAS 78213-03-3), with molecular formula C7H5NO3 and molecular weight 151.03 g/mol. IUPAC: 6-hydroxy-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 6-hydroxy-
Property Insights of 2(3H)-Benzoxazolone, 6-hydroxy-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 6-hydroxy-. With a topological polar surface area (TPSA) of 58.6 Ų, 2(3H)-Benzoxazolone, 6-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 6-hydroxy- 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 2(3H)-Benzoxazolone, 6-hydroxy-?
The CAS number of 2(3H)-Benzoxazolone, 6-hydroxy- is 78213-03-3.
What is the molecular formula of 2(3H)-Benzoxazolone, 6-hydroxy-?
The molecular formula of 2(3H)-Benzoxazolone, 6-hydroxy- is C7H5NO3.
What is the molecular weight of 2(3H)-Benzoxazolone, 6-hydroxy-?
The molecular weight of 2(3H)-Benzoxazolone, 6-hydroxy- is 151.03 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 6-hydroxy-?
You can request a quote for 2(3H)-Benzoxazolone, 6-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzoxazolone, 6-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 6-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.