5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one
TL;DR: 5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one (CAS 22876-15-9) 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.
5-methyl-3H-1,3-benzoxazol-2-one
Also Known As: 5-methyl-1,3-benzoxazol-2(3H)-one, 5-methyl-3H-1,3-benzoxazol-2-one, 5-Methylbenzo[d]oxazol-2(3H)-one, 5-Methyl-3H-benzooxazol-2-one, 5-methyl-2-benzoxazolinone
| Molecular Formula | C8H7NO2 |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.04768 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 22876-15-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=O)N2 |
| InChIKey | GBLBFWAKNXWFFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one (CAS 22876-15-9), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: 5-methyl-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one
Property Insights of 5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one. With a topological polar surface area (TPSA) of 38.3 Ų, 5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one has 1 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 5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one?
The CAS number of 5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one is 22876-15-9.
What is the molecular formula of 5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one?
The molecular formula of 5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one is C8H7NO2.
What is the molecular weight of 5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one?
The molecular weight of 5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one is 149.05 g/mol.
Where can I buy 5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one?
You can request a quote for 5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.