4-Benzylamino-3-nitrobenzaldehyde
TL;DR: 4-Benzylamino-3-nitrobenzaldehyde (CAS 848692-49-9) is a chemical compound with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzylamino)-3-nitrobenzaldehyde
Also Known As: 4-(benzylamino)-3-nitrobenzaldehyde, 4-benzylamino-3-nitrobenzaldehyde
| Molecular Formula | C14H12N2O3 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 3.0194 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.08478 |
| Heavy Atoms | 19 |
| Complexity | 596.895 |
Chemical Identifiers
| CAS Number | 848692-49-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C=O)[N+](=O)[O-] |
Product Overview
4-Benzylamino-3-nitrobenzaldehyde (CAS 848692-49-9), with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol. IUPAC: 4-(benzylamino)-3-nitrobenzaldehyde.
Chemical Property Profile of 4-Benzylamino-3-nitrobenzaldehyde
Property Insights of 4-Benzylamino-3-nitrobenzaldehyde
The XLogP value of 3.0194 indicates that 4-Benzylamino-3-nitrobenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzylamino-3-nitrobenzaldehyde. Following Lipinski's Rule of Five, 4-Benzylamino-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-Benzylamino-3-nitrobenzaldehyde?
The CAS number of 4-Benzylamino-3-nitrobenzaldehyde is 848692-49-9.
What is the molecular formula of 4-Benzylamino-3-nitrobenzaldehyde?
The molecular formula of 4-Benzylamino-3-nitrobenzaldehyde is C14H12N2O3.
What is the molecular weight of 4-Benzylamino-3-nitrobenzaldehyde?
The molecular weight of 4-Benzylamino-3-nitrobenzaldehyde is 256.08 g/mol.
Where can I buy 4-Benzylamino-3-nitrobenzaldehyde?
You can request a quote for 4-Benzylamino-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-Benzylamino-3-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylamino-3-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.