5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one
TL;DR: 5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one (CAS 638136-12-6) is a chemical compound with molecular formula C17H17NO3 and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
Also Known As: BAS 07403620, 5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one, 5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one, 5-methyl-3-(2-(o-tolyloxy)ethyl)benzo[d]oxazol-2(3H)-one, AP-845/42282926
| Molecular Formula | C17H17NO3 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 3.29034 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.12085 |
| Heavy Atoms | 21 |
| Complexity | 829.41266 |
Chemical Identifiers
| CAS Number | 638136-12-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=O)N2CCOC3=CC=CC=C3C |
Product Overview
5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one (CAS 638136-12-6), with molecular formula C17H17NO3 and molecular weight 283.12 g/mol. IUPAC: 5-methyl-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one.
Chemical Property Profile of 5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one
Property Insights of 5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one
The XLogP value of 3.29034 indicates that 5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, 5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one has 0 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-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one?
The CAS number of 5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one is 638136-12-6.
What is the molecular formula of 5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one?
The molecular formula of 5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one is C17H17NO3.
What is the molecular weight of 5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one?
The molecular weight of 5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one is 283.12 g/mol.
Where can I buy 5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one?
You can request a quote for 5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-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-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.