5-Methoxybenzoxazolone
TL;DR: 5-Methoxybenzoxazolone (CAS 40925-63-1) is a chemical compound with molecular formula C8H7NO3 and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-3H-1,3-benzoxazol-2-one
Also Known As: 5-methoxy-3h-benzooxazol-2-one, 5-methoxybenzo[d]oxazol-2(3H)-one, 2(3H)-Benzoxazolone, 5-methoxy-, 5-Methoxybenzoxazolone, 5-Methoxybenzoxazol-2(3H)-one
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.04259 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 40925-63-1 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OC(=O)N2 |
| InChIKey | YOLHKYWNQMSMDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methoxybenzoxazolone (CAS 40925-63-1), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: 5-methoxy-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 5-Methoxybenzoxazolone
Property Insights of 5-Methoxybenzoxazolone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxybenzoxazolone. With a topological polar surface area (TPSA) of 47.6 Ų, 5-Methoxybenzoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methoxybenzoxazolone has 1 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 5-Methoxybenzoxazolone?
The CAS number of 5-Methoxybenzoxazolone is 40925-63-1.
What is the molecular formula of 5-Methoxybenzoxazolone?
The molecular formula of 5-Methoxybenzoxazolone is C8H7NO3.
What is the molecular weight of 5-Methoxybenzoxazolone?
The molecular weight of 5-Methoxybenzoxazolone is 165.04 g/mol.
Where can I buy 5-Methoxybenzoxazolone?
You can request a quote for 5-Methoxybenzoxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxybenzoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxybenzoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.