2(3H)-Benzoxazolone, 6-(3-(3-nitrophenyl)-1-oxo-2-propenyl)-
TL;DR: 2(3H)-Benzoxazolone, 6-(3-(3-nitrophenyl)-1-oxo-2-propenyl)- (CAS 54903-30-9) is a chemical compound with molecular formula C16H10N2O5 and molecular weight 310.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
Also Known As: 6-(3-(3-Nitrophenyl)-1-oxo-2-propenyl)-2(3H)-benzoxazolone, 2(3H)-Benzoxazolone, 6-(3-(3-nitrophenyl)-1-oxo-2-propenyl)-, 6-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one, RefChem:1058720, BRN 1148894
| Molecular Formula | C16H10N2O5 |
|---|---|
| Molecular Weight | 310.06 g/mol |
| LogP | 2.9254 |
| Topological Polar Surface Area | 106.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.05896 |
| Heavy Atoms | 23 |
| Complexity | 996.8733 |
Chemical Identifiers
| CAS Number | 54903-30-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)C2=CC3=C(C=C2)NC(=O)O3 |
Product Overview
2(3H)-Benzoxazolone, 6-(3-(3-nitrophenyl)-1-oxo-2-propenyl)- (CAS 54903-30-9), with molecular formula C16H10N2O5 and molecular weight 310.06 g/mol. IUPAC: 6-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 6-(3-(3-nitrophenyl)-1-oxo-2-propenyl)-
Property Insights of 2(3H)-Benzoxazolone, 6-(3-(3-nitrophenyl)-1-oxo-2-propenyl)-
The XLogP value of 2.9254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 6-(3-(3-nitrophenyl)-1-oxo-2-propenyl)-. The TPSA of 106.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzoxazolone, 6-(3-(3-nitrophenyl)-1-oxo-2-propenyl)-. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 6-(3-(3-nitrophenyl)-1-oxo-2-propenyl)- has 1 hydrogen bond donor(s) and 5 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-(3-(3-nitrophenyl)-1-oxo-2-propenyl)-?
The CAS number of 2(3H)-Benzoxazolone, 6-(3-(3-nitrophenyl)-1-oxo-2-propenyl)- is 54903-30-9.
What is the molecular formula of 2(3H)-Benzoxazolone, 6-(3-(3-nitrophenyl)-1-oxo-2-propenyl)-?
The molecular formula of 2(3H)-Benzoxazolone, 6-(3-(3-nitrophenyl)-1-oxo-2-propenyl)- is C16H10N2O5.
What is the molecular weight of 2(3H)-Benzoxazolone, 6-(3-(3-nitrophenyl)-1-oxo-2-propenyl)-?
The molecular weight of 2(3H)-Benzoxazolone, 6-(3-(3-nitrophenyl)-1-oxo-2-propenyl)- is 310.06 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 6-(3-(3-nitrophenyl)-1-oxo-2-propenyl)-?
You can request a quote for 2(3H)-Benzoxazolone, 6-(3-(3-nitrophenyl)-1-oxo-2-propenyl)- 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-(3-(3-nitrophenyl)-1-oxo-2-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 6-(3-(3-nitrophenyl)-1-oxo-2-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.