2-Nitroterephthalaldehyde
TL;DR: 2-Nitroterephthalaldehyde (CAS 39909-72-3) is a chemical compound with molecular formula C8H5NO4 and molecular weight 179.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitroterephthalaldehyde
Also Known As: 2-nitroterephthalaldehyde, 2-nitrobenzene-1,4-dicarbaldehyde, Nitroterephthalaldehyd, 1,4-Benzenedicarboxaldehyde, 2-nitro-, 2-nitro-1,4-dibenzaldehyde
| Molecular Formula | C8H5NO4 |
|---|---|
| Molecular Weight | 179.02 g/mol |
| LogP | 1.2198 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.02185 |
| Heavy Atoms | 13 |
| Complexity | 372.40683 |
Chemical Identifiers
| CAS Number | 39909-72-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=O)[N+](=O)[O-])C=O |
Product Overview
2-Nitroterephthalaldehyde (CAS 39909-72-3), with molecular formula C8H5NO4 and molecular weight 179.02 g/mol. IUPAC: 2-nitroterephthalaldehyde.
Chemical Property Profile of 2-Nitroterephthalaldehyde
Property Insights of 2-Nitroterephthalaldehyde
The XLogP value of 1.2198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitroterephthalaldehyde. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitroterephthalaldehyde. Following Lipinski's Rule of Five, 2-Nitroterephthalaldehyde 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 2-Nitroterephthalaldehyde?
The CAS number of 2-Nitroterephthalaldehyde is 39909-72-3.
What is the molecular formula of 2-Nitroterephthalaldehyde?
The molecular formula of 2-Nitroterephthalaldehyde is C8H5NO4.
What is the molecular weight of 2-Nitroterephthalaldehyde?
The molecular weight of 2-Nitroterephthalaldehyde is 179.02 g/mol.
Where can I buy 2-Nitroterephthalaldehyde?
You can request a quote for 2-Nitroterephthalaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitroterephthalaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitroterephthalaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.