5-Butoxy-2-nitrobenzaldehyde
TL;DR: 5-Butoxy-2-nitrobenzaldehyde (CAS 548798-24-9) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butoxy-2-nitrobenzaldehyde
Also Known As: 5-butoxy-2-nitrobenzaldehyde, 5-butoxy-2-nitro-benzaldehyde
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 2.5862 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 389.57098 |
Chemical Identifiers
| CAS Number | 548798-24-9 |
|---|---|
| SMILES | CCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C=O |
Product Overview
5-Butoxy-2-nitrobenzaldehyde (CAS 548798-24-9), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: 5-butoxy-2-nitrobenzaldehyde.
Chemical Property Profile of 5-Butoxy-2-nitrobenzaldehyde
Property Insights of 5-Butoxy-2-nitrobenzaldehyde
The XLogP value of 2.5862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butoxy-2-nitrobenzaldehyde. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Butoxy-2-nitrobenzaldehyde. Following Lipinski's Rule of Five, 5-Butoxy-2-nitrobenzaldehyde 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-Butoxy-2-nitrobenzaldehyde?
The CAS number of 5-Butoxy-2-nitrobenzaldehyde is 548798-24-9.
What is the molecular formula of 5-Butoxy-2-nitrobenzaldehyde?
The molecular formula of 5-Butoxy-2-nitrobenzaldehyde is C11H13NO4.
What is the molecular weight of 5-Butoxy-2-nitrobenzaldehyde?
The molecular weight of 5-Butoxy-2-nitrobenzaldehyde is 223.08 g/mol.
Where can I buy 5-Butoxy-2-nitrobenzaldehyde?
You can request a quote for 5-Butoxy-2-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butoxy-2-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Butoxy-2-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.