2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)-
TL;DR: 2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)- (CAS 67377-25-7) is a chemical compound with molecular formula C18H11NO5 and molecular weight 321.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-nitrophenyl)-7-prop-2-ynoxychromen-2-one
Also Known As: 4-o-Nitrophenyl-7-propargyloxy-cumarin, 4-o-Nitrophenyl-7-propargyloxy-cumarin [German], 4-o-nitrophenyl-7-propargyloxy-coumarin, 2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)-, 4-(2-Nitrophenyl)-7-(2-propynyloxy)-2H-1-benzopyran-2-one
| Molecular Formula | C18H11NO5 |
|---|---|
| Molecular Weight | 321.06 g/mol |
| LogP | 3.3802 |
| Topological Polar Surface Area | 82.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.06372 |
| Heavy Atoms | 24 |
| Complexity | 1029.4939 |
Chemical Identifiers
| CAS Number | 67377-25-7 |
|---|---|
| SMILES | C#CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)- (CAS 67377-25-7), with molecular formula C18H11NO5 and molecular weight 321.06 g/mol. IUPAC: 4-(2-nitrophenyl)-7-prop-2-ynoxychromen-2-one.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)-
Property Insights of 2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)-
The XLogP value of 3.3802 indicates that 2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)- has 0 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 2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)-?
The CAS number of 2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)- is 67377-25-7.
What is the molecular formula of 2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)-?
The molecular formula of 2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)- is C18H11NO5.
What is the molecular weight of 2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)-?
The molecular weight of 2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)- is 321.06 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)-?
You can request a quote for 2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 4-(2-nitrophenyl)-7-(2-propynyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.