2-Benzoxazolinone, 3-methyl-
TL;DR: 2-Benzoxazolinone, 3-methyl- (CAS 21892-80-8) 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.
3-methyl-1,3-benzoxazol-2-one
Also Known As: 3-Methyl-2-benzoxazolinone, 3-methylbenzo[d]oxazol-2(3H)-one, 3-Methylbenzoxazolone, N-Methylbenzoxazolone, 3-methyl-1,3-benzoxazol-2-one
| Molecular Formula | C8H7NO2 |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.04768 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 21892-80-8 |
|---|---|
| SMILES | CN1C2=CC=CC=C2OC1=O |
| InChIKey | QRMRRLXXFHXMBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoxazolinone, 3-methyl- (CAS 21892-80-8), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: 3-methyl-1,3-benzoxazol-2-one.
Chemical Property Profile of 2-Benzoxazolinone, 3-methyl-
Property Insights of 2-Benzoxazolinone, 3-methyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoxazolinone, 3-methyl-. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Benzoxazolinone, 3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoxazolinone, 3-methyl- 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 2-Benzoxazolinone, 3-methyl-?
The CAS number of 2-Benzoxazolinone, 3-methyl- is 21892-80-8.
What is the molecular formula of 2-Benzoxazolinone, 3-methyl-?
The molecular formula of 2-Benzoxazolinone, 3-methyl- is C8H7NO2.
What is the molecular weight of 2-Benzoxazolinone, 3-methyl-?
The molecular weight of 2-Benzoxazolinone, 3-methyl- is 149.05 g/mol.
Where can I buy 2-Benzoxazolinone, 3-methyl-?
You can request a quote for 2-Benzoxazolinone, 3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoxazolinone, 3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazolinone, 3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.