2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)-
TL;DR: 2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)- (CAS 54903-64-9) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one
Also Known As: NIOSH/DM5276140, 2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)-, 3-Methyl-6-(phenylacetyl)-2(3H)-benzoxazolone, 3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one, 3-Methyl-6-(1-oxo-2-phenylethyl)-2(3H)-benzoxazolone
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.5569 |
| Topological Polar Surface Area | 52.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 827.7993 |
Chemical Identifiers
| CAS Number | 54903-64-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C(=O)CC3=CC=CC=C3)OC1=O |
Product Overview
2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)- (CAS 54903-64-9), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: 3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)-
Property Insights of 2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)-
The XLogP value of 2.5569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)-. With a topological polar surface area (TPSA) of 52.21 Ų, 2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)- 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 2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)-?
The CAS number of 2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)- is 54903-64-9.
What is the molecular formula of 2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)-?
The molecular formula of 2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)- is C16H13NO3.
What is the molecular weight of 2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)-?
The molecular weight of 2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)- is 267.09 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)-?
You can request a quote for 2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 3-methyl-6-(phenylacetyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.