4-(Methylamino)-3-nitrobenzaldehyde
TL;DR: 4-(Methylamino)-3-nitrobenzaldehyde (CAS 42564-41-0) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methylamino)-3-nitrobenzaldehyde
Also Known As: 4-(methylamino)-3-nitrobenzaldehyde, 4-Methylamino-3-nitro-benzaldehyde, 4-Methylamino-3-nitrobenzaldehyde, methylaminonitrobenzaldehyde, 4-Methylamino-3-nitrobenzaldehyd
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.449 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 349.24243 |
Chemical Identifiers
| CAS Number | 42564-41-0 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)C=O)[N+](=O)[O-] |
Product Overview
4-(Methylamino)-3-nitrobenzaldehyde (CAS 42564-41-0), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: 4-(methylamino)-3-nitrobenzaldehyde.
Chemical Property Profile of 4-(Methylamino)-3-nitrobenzaldehyde
Property Insights of 4-(Methylamino)-3-nitrobenzaldehyde
The XLogP value of 1.449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylamino)-3-nitrobenzaldehyde. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methylamino)-3-nitrobenzaldehyde. Following Lipinski's Rule of Five, 4-(Methylamino)-3-nitrobenzaldehyde has 1 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 4-(Methylamino)-3-nitrobenzaldehyde?
The CAS number of 4-(Methylamino)-3-nitrobenzaldehyde is 42564-41-0.
What is the molecular formula of 4-(Methylamino)-3-nitrobenzaldehyde?
The molecular formula of 4-(Methylamino)-3-nitrobenzaldehyde is C8H8N2O3.
What is the molecular weight of 4-(Methylamino)-3-nitrobenzaldehyde?
The molecular weight of 4-(Methylamino)-3-nitrobenzaldehyde is 180.05 g/mol.
Where can I buy 4-(Methylamino)-3-nitrobenzaldehyde?
You can request a quote for 4-(Methylamino)-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-(Methylamino)-3-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylamino)-3-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.