6-Cinnamoylbenzoxazolinone
TL;DR: 6-Cinnamoylbenzoxazolinone (CAS 54903-21-8) is a chemical compound with molecular formula C16H11NO3 and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-phenylprop-2-enoyl)-3H-1,3-benzoxazol-2-one
Also Known As: 6-cinnamoylbenzoxazolinone, 6-cinnamoylbenzo[d]oxazol-2(3H)-one
| Molecular Formula | C16H11NO3 |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 3.0172 |
| Topological Polar Surface Area | 63.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.07388 |
| Heavy Atoms | 20 |
| Complexity | 840.7894 |
Chemical Identifiers
| CAS Number | 54903-21-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)NC(=O)O3 |
Product Overview
6-Cinnamoylbenzoxazolinone (CAS 54903-21-8), with molecular formula C16H11NO3 and molecular weight 265.07 g/mol. IUPAC: 6-(3-phenylprop-2-enoyl)-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 6-Cinnamoylbenzoxazolinone
Property Insights of 6-Cinnamoylbenzoxazolinone
The XLogP value of 3.0172 indicates that 6-Cinnamoylbenzoxazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Cinnamoylbenzoxazolinone. Following Lipinski's Rule of Five, 6-Cinnamoylbenzoxazolinone 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 6-Cinnamoylbenzoxazolinone?
The CAS number of 6-Cinnamoylbenzoxazolinone is 54903-21-8.
What is the molecular formula of 6-Cinnamoylbenzoxazolinone?
The molecular formula of 6-Cinnamoylbenzoxazolinone is C16H11NO3.
What is the molecular weight of 6-Cinnamoylbenzoxazolinone?
The molecular weight of 6-Cinnamoylbenzoxazolinone is 265.07 g/mol.
Where can I buy 6-Cinnamoylbenzoxazolinone?
You can request a quote for 6-Cinnamoylbenzoxazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Cinnamoylbenzoxazolinone?
Yes, KEHONG BIO provides custom synthesis services for 6-Cinnamoylbenzoxazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.