4-(2-Propynyloxy)-beta-nitrostyrene
TL;DR: 4-(2-Propynyloxy)-beta-nitrostyrene (CAS 23123-77-5) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-2-nitroethenyl]-4-prop-2-ynoxybenzene
Also Known As: 4-(2-Propynyloxy)-beta-nitrostyrene, 1-[(E)-2-nitroethenyl]-4-prop-2-ynoxybenzene, 1-(2-nitrovinyl)-4-(2-propyn-1-yloxy)benzene, Benzene, 1-(2-nitroethenyl)-4-(2-propynyloxy)-, RefChem:97083
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 1.946 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.05824 |
| Heavy Atoms | 15 |
| Complexity | 400.83636 |
Chemical Identifiers
| CAS Number | 23123-77-5 |
|---|---|
| SMILES | C#CCOC1=CC=C(C=C1)/C=C/[N+](=O)[O-] |
Product Overview
4-(2-Propynyloxy)-beta-nitrostyrene (CAS 23123-77-5), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: 1-[(E)-2-nitroethenyl]-4-prop-2-ynoxybenzene.
Chemical Property Profile of 4-(2-Propynyloxy)-beta-nitrostyrene
Property Insights of 4-(2-Propynyloxy)-beta-nitrostyrene
The XLogP value of 1.946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Propynyloxy)-beta-nitrostyrene. With a topological polar surface area (TPSA) of 52.37 Ų, 4-(2-Propynyloxy)-beta-nitrostyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Propynyloxy)-beta-nitrostyrene 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 4-(2-Propynyloxy)-beta-nitrostyrene?
The CAS number of 4-(2-Propynyloxy)-beta-nitrostyrene is 23123-77-5.
What is the molecular formula of 4-(2-Propynyloxy)-beta-nitrostyrene?
The molecular formula of 4-(2-Propynyloxy)-beta-nitrostyrene is C11H9NO3.
What is the molecular weight of 4-(2-Propynyloxy)-beta-nitrostyrene?
The molecular weight of 4-(2-Propynyloxy)-beta-nitrostyrene is 203.06 g/mol.
Where can I buy 4-(2-Propynyloxy)-beta-nitrostyrene?
You can request a quote for 4-(2-Propynyloxy)-beta-nitrostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Propynyloxy)-beta-nitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Propynyloxy)-beta-nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.