4-Ethyl-3-nitrobenzaldehyde
TL;DR: 4-Ethyl-3-nitrobenzaldehyde (CAS 4748-80-5) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-nitrobenzaldehyde
Also Known As: 4-Ethyl-3-nitrobenzaldehyde, 4-ethyl-3-nitro-benzaldehyde, Benzaldehyde,4-ethyl-3-nitro-, Benzaldehyde,4-ethyl-3-nitro, 4-ETHYL-3-NITROBENZALDEHYDE 97
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 1.9697 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 346.7131 |
Chemical Identifiers
| CAS Number | 4748-80-5 |
|---|---|
| SMILES | CCC1=C(C=C(C=C1)C=O)[N+](=O)[O-] |
Product Overview
4-Ethyl-3-nitrobenzaldehyde (CAS 4748-80-5), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 4-ethyl-3-nitrobenzaldehyde.
Chemical Property Profile of 4-Ethyl-3-nitrobenzaldehyde
Property Insights of 4-Ethyl-3-nitrobenzaldehyde
The XLogP value of 1.9697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-3-nitrobenzaldehyde. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethyl-3-nitrobenzaldehyde. Following Lipinski's Rule of Five, 4-Ethyl-3-nitrobenzaldehyde 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-Ethyl-3-nitrobenzaldehyde?
The CAS number of 4-Ethyl-3-nitrobenzaldehyde is 4748-80-5.
What is the molecular formula of 4-Ethyl-3-nitrobenzaldehyde?
The molecular formula of 4-Ethyl-3-nitrobenzaldehyde is C9H9NO3.
What is the molecular weight of 4-Ethyl-3-nitrobenzaldehyde?
The molecular weight of 4-Ethyl-3-nitrobenzaldehyde is 179.06 g/mol.
Where can I buy 4-Ethyl-3-nitrobenzaldehyde?
You can request a quote for 4-Ethyl-3-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-3-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-3-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.