5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde
TL;DR: 5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde (CAS 280113-67-9) is a chemical compound with molecular formula C10H7NO4 and molecular weight 205.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-prop-2-ynoxybenzaldehyde
Also Known As: 5-nitro-2-(prop-2-yn-1-yloxy)benzaldehyde, 5-nitro-2-prop-2-ynoxybenzaldehyde, 2-(Propargyloxy)-5-nitrobenzaldehyde, 5-nitro-2-prop-2-ynoxy-benzaldehyde, 5-nitro-2-(prop-2-ynyloxy)benzaldehyde
| Molecular Formula | C10H7NO4 |
|---|---|
| Molecular Weight | 205.04 g/mol |
| LogP | 1.4193 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.0375 |
| Heavy Atoms | 15 |
| Complexity | 433.5388 |
Chemical Identifiers
| CAS Number | 280113-67-9 |
|---|---|
| SMILES | C#CCOC1=C(C=C(C=C1)[N+](=O)[O-])C=O |
Product Overview
5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde (CAS 280113-67-9), with molecular formula C10H7NO4 and molecular weight 205.04 g/mol. IUPAC: 5-nitro-2-prop-2-ynoxybenzaldehyde.
Chemical Property Profile of 5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde
Property Insights of 5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde
The XLogP value of 1.4193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde. Following Lipinski's Rule of Five, 5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde has 0 hydrogen bond donor(s) and 4 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 5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde?
The CAS number of 5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde is 280113-67-9.
What is the molecular formula of 5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde?
The molecular formula of 5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde is C10H7NO4.
What is the molecular weight of 5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde?
The molecular weight of 5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde is 205.04 g/mol.
Where can I buy 5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde?
You can request a quote for 5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-(prop-2-yn-1-yloxy)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.