Coixol
TL;DR: Coixol (CAS 532-91-2) 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.
6-methoxy-3H-1,3-benzoxazol-2-one
Also Known As: Coixol, 6-Methoxy-2-benzoxazolinone, MBOA, 6-Methoxybenzoxazolinone, 6-METHOXYBENZO[D]OXAZOL-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 |
| Melting Point | 160 - 161 °C |
Chemical Identifiers
| CAS Number | 532-91-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC(=O)O2 |
| InChIKey | MKMCJLMBVKHUMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Coixol (CAS 532-91-2), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: 6-methoxy-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of Coixol
Property Insights of Coixol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coixol. With a topological polar surface area (TPSA) of 47.6 Ų, Coixol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coixol 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 Coixol?
The CAS number of Coixol is 532-91-2.
What is the molecular formula of Coixol?
The molecular formula of Coixol is C8H7NO3.
What is the molecular weight of Coixol?
The molecular weight of Coixol is 165.04 g/mol.
Where can I buy Coixol?
You can request a quote for Coixol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coixol?
Yes, KEHONG BIO provides custom synthesis services for Coixol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.