6-Methyl-3-oxido-1,3-benzoxazol-3-ium
TL;DR: 6-Methyl-3-oxido-1,3-benzoxazol-3-ium (CAS 392669-41-9) is a chemical compound with molecular formula C8H7NO2 and molecular weight 149.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3-oxido-1,3-benzoxazol-3-ium
Also Known As: 6-methylbenzoxazol-3-ol, Benzoxazole,6-methyl-,3-oxide, 6-methyl-3-oxido-1,3-benzoxazol-3-ium, 6-Methyl-1,3-benzoxazole 3-oxide, Benzoxazole, 6-methyl-,3-oxide
| Molecular Formula | C8H7NO2 |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 1.37462 |
| Topological Polar Surface Area | 40.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.04768 |
| Heavy Atoms | 11 |
| Complexity | 391.89142 |
Chemical Identifiers
| CAS Number | 392669-41-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)[N+](=CO2)[O-] |
Product Overview
6-Methyl-3-oxido-1,3-benzoxazol-3-ium (CAS 392669-41-9), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: 6-methyl-3-oxido-1,3-benzoxazol-3-ium.
Chemical Property Profile of 6-Methyl-3-oxido-1,3-benzoxazol-3-ium
Property Insights of 6-Methyl-3-oxido-1,3-benzoxazol-3-ium
The XLogP value of 1.37462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-3-oxido-1,3-benzoxazol-3-ium. With a topological polar surface area (TPSA) of 40.08 Ų, 6-Methyl-3-oxido-1,3-benzoxazol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-3-oxido-1,3-benzoxazol-3-ium has 0 hydrogen bond donor(s) and 2 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 6-Methyl-3-oxido-1,3-benzoxazol-3-ium?
The CAS number of 6-Methyl-3-oxido-1,3-benzoxazol-3-ium is 392669-41-9.
What is the molecular formula of 6-Methyl-3-oxido-1,3-benzoxazol-3-ium?
The molecular formula of 6-Methyl-3-oxido-1,3-benzoxazol-3-ium is C8H7NO2.
What is the molecular weight of 6-Methyl-3-oxido-1,3-benzoxazol-3-ium?
The molecular weight of 6-Methyl-3-oxido-1,3-benzoxazol-3-ium is 149.05 g/mol.
Where can I buy 6-Methyl-3-oxido-1,3-benzoxazol-3-ium?
You can request a quote for 6-Methyl-3-oxido-1,3-benzoxazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-3-oxido-1,3-benzoxazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-3-oxido-1,3-benzoxazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.