Benzene, 1-(ethynyloxy)-4-nitro-
TL;DR: Benzene, 1-(ethynyloxy)-4-nitro- (CAS 22409-58-1) is a chemical compound with molecular formula C8H5NO3 and molecular weight 163.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethynoxy-4-nitrobenzene
Also Known As: p-nitrophenoxyacetylene, p-Nitrophenoxy-acetylen, (p-nitrophenoxy)acetylene, 1-ethynoxy-4-nitrobenzene, 1-ethynoxy-4-nitro-benzene
| Molecular Formula | C8H5NO3 |
|---|---|
| Molecular Weight | 163.03 g/mol |
| LogP | 1.5643 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.02695 |
| Heavy Atoms | 12 |
| Complexity | 323.15137 |
Chemical Identifiers
| CAS Number | 22409-58-1 |
|---|---|
| SMILES | C#COC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Benzene, 1-(ethynyloxy)-4-nitro- (CAS 22409-58-1), with molecular formula C8H5NO3 and molecular weight 163.03 g/mol. IUPAC: 1-ethynoxy-4-nitrobenzene.
Chemical Property Profile of Benzene, 1-(ethynyloxy)-4-nitro-
Property Insights of Benzene, 1-(ethynyloxy)-4-nitro-
The XLogP value of 1.5643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-(ethynyloxy)-4-nitro-. With a topological polar surface area (TPSA) of 52.37 Ų, Benzene, 1-(ethynyloxy)-4-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(ethynyloxy)-4-nitro- has 0 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 Benzene, 1-(ethynyloxy)-4-nitro-?
The CAS number of Benzene, 1-(ethynyloxy)-4-nitro- is 22409-58-1.
What is the molecular formula of Benzene, 1-(ethynyloxy)-4-nitro-?
The molecular formula of Benzene, 1-(ethynyloxy)-4-nitro- is C8H5NO3.
What is the molecular weight of Benzene, 1-(ethynyloxy)-4-nitro-?
The molecular weight of Benzene, 1-(ethynyloxy)-4-nitro- is 163.03 g/mol.
Where can I buy Benzene, 1-(ethynyloxy)-4-nitro-?
You can request a quote for Benzene, 1-(ethynyloxy)-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(ethynyloxy)-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(ethynyloxy)-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.