2(3H)-Benzoxazolone, 6-(1-oxo-3-phenylpropyl)-
TL;DR: 2(3H)-Benzoxazolone, 6-(1-oxo-3-phenylpropyl)- (CAS 54903-31-0) 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.
6-(3-phenylpropanoyl)-3H-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 6-(1-oxo-3-phenylpropyl)-, 6-(1-Oxo-3-phenylpropyl)-2(3H)-benzoxazolone, 6-(3-phenylpropanoyl)-3H-1,3-benzoxazol-2-one, 6-(3-Phenylpropanoyl)-1,3-benzoxazol-2(3H)-one, BRN 1128700
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.9366 |
| Topological Polar Surface Area | 63.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 799.20496 |
Chemical Identifiers
| CAS Number | 54903-31-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)C2=CC3=C(C=C2)NC(=O)O3 |
Product Overview
2(3H)-Benzoxazolone, 6-(1-oxo-3-phenylpropyl)- (CAS 54903-31-0), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: 6-(3-phenylpropanoyl)-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 6-(1-oxo-3-phenylpropyl)-
Property Insights of 2(3H)-Benzoxazolone, 6-(1-oxo-3-phenylpropyl)-
The XLogP value of 2.9366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 6-(1-oxo-3-phenylpropyl)-. The TPSA of 63.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzoxazolone, 6-(1-oxo-3-phenylpropyl)-. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 6-(1-oxo-3-phenylpropyl)- 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-(1-oxo-3-phenylpropyl)-?
The CAS number of 2(3H)-Benzoxazolone, 6-(1-oxo-3-phenylpropyl)- is 54903-31-0.
What is the molecular formula of 2(3H)-Benzoxazolone, 6-(1-oxo-3-phenylpropyl)-?
The molecular formula of 2(3H)-Benzoxazolone, 6-(1-oxo-3-phenylpropyl)- is C16H13NO3.
What is the molecular weight of 2(3H)-Benzoxazolone, 6-(1-oxo-3-phenylpropyl)-?
The molecular weight of 2(3H)-Benzoxazolone, 6-(1-oxo-3-phenylpropyl)- is 267.09 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 6-(1-oxo-3-phenylpropyl)-?
You can request a quote for 2(3H)-Benzoxazolone, 6-(1-oxo-3-phenylpropyl)- 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-(1-oxo-3-phenylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 6-(1-oxo-3-phenylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.