2(3H)-Benzoxazolone, 6-(phenylacetyl)-
TL;DR: 2(3H)-Benzoxazolone, 6-(phenylacetyl)- (CAS 553-65-1) is a chemical compound with molecular formula C15H11NO3 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-phenylacetyl)-3H-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 6-(phenylacetyl)-, 6-(Phenylacetyl)-2(3H)-benzoxazolone, 6-(phenylacetyl)-1,3-benzoxazol-2(3h)-one, 6-(2-phenylacetyl)-3H-1,3-benzoxazol-2-one, NCI60_032547
| Molecular Formula | C15H11NO3 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.0739 |
| Heavy Atoms | 19 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 553-65-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)C2=CC3=C(C=C2)NC(=O)O3 |
| InChIKey | BUZFSNQGRCSNEY-UHFFFAOYSA-N |
Product Overview
2(3H)-Benzoxazolone, 6-(phenylacetyl)- (CAS 553-65-1), with molecular formula C15H11NO3 and molecular weight 253.07 g/mol. IUPAC: 6-(2-phenylacetyl)-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 6-(phenylacetyl)-
Property Insights of 2(3H)-Benzoxazolone, 6-(phenylacetyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 6-(phenylacetyl)-. With a topological polar surface area (TPSA) of 55.4 Ų, 2(3H)-Benzoxazolone, 6-(phenylacetyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 6-(phenylacetyl)- has 1 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, 6-(phenylacetyl)-?
The CAS number of 2(3H)-Benzoxazolone, 6-(phenylacetyl)- is 553-65-1.
What is the molecular formula of 2(3H)-Benzoxazolone, 6-(phenylacetyl)-?
The molecular formula of 2(3H)-Benzoxazolone, 6-(phenylacetyl)- is C15H11NO3.
What is the molecular weight of 2(3H)-Benzoxazolone, 6-(phenylacetyl)-?
The molecular weight of 2(3H)-Benzoxazolone, 6-(phenylacetyl)- is 253.07 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 6-(phenylacetyl)-?
You can request a quote for 2(3H)-Benzoxazolone, 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, 6-(phenylacetyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 6-(phenylacetyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.