5-Methyl-3-(4-methyl-benzyl)-3H-benzooxazol-2-one
TL;DR: 5-Methyl-3-(4-methyl-benzyl)-3H-benzooxazol-2-one (CAS 638142-34-4) is a chemical compound with molecular formula C16H15NO2 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-[(4-methylphenyl)methyl]-1,3-benzoxazol-2-one
Also Known As: BAS 07567004, 5-Methyl-3-(4-methyl-benzyl)-3H-benzooxazol-2-one, 5-methyl-3-(4-methylbenzyl)-1,3-benzoxazol-2(3H)-one, AT-057/42282874, 5-methyl-3-[(4-methylphenyl)methyl]-1,3-benzoxazol-2-one
| Molecular Formula | C16H15NO2 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 3.25964 |
| Topological Polar Surface Area | 35.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.11028 |
| Heavy Atoms | 19 |
| Complexity | 778.6093 |
Chemical Identifiers
| CAS Number | 638142-34-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C)OC2=O |
Product Overview
5-Methyl-3-(4-methyl-benzyl)-3H-benzooxazol-2-one (CAS 638142-34-4), with molecular formula C16H15NO2 and molecular weight 253.11 g/mol. IUPAC: 5-methyl-3-[(4-methylphenyl)methyl]-1,3-benzoxazol-2-one.
Chemical Property Profile of 5-Methyl-3-(4-methyl-benzyl)-3H-benzooxazol-2-one
Property Insights of 5-Methyl-3-(4-methyl-benzyl)-3H-benzooxazol-2-one
The XLogP value of 3.25964 indicates that 5-Methyl-3-(4-methyl-benzyl)-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 35.14 Ų, 5-Methyl-3-(4-methyl-benzyl)-3H-benzooxazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-3-(4-methyl-benzyl)-3H-benzooxazol-2-one 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 5-Methyl-3-(4-methyl-benzyl)-3H-benzooxazol-2-one?
The CAS number of 5-Methyl-3-(4-methyl-benzyl)-3H-benzooxazol-2-one is 638142-34-4.
What is the molecular formula of 5-Methyl-3-(4-methyl-benzyl)-3H-benzooxazol-2-one?
The molecular formula of 5-Methyl-3-(4-methyl-benzyl)-3H-benzooxazol-2-one is C16H15NO2.
What is the molecular weight of 5-Methyl-3-(4-methyl-benzyl)-3H-benzooxazol-2-one?
The molecular weight of 5-Methyl-3-(4-methyl-benzyl)-3H-benzooxazol-2-one is 253.11 g/mol.
Where can I buy 5-Methyl-3-(4-methyl-benzyl)-3H-benzooxazol-2-one?
You can request a quote for 5-Methyl-3-(4-methyl-benzyl)-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-(4-methyl-benzyl)-3H-benzooxazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-(4-methyl-benzyl)-3H-benzooxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.