N-(furan-2-ylmethyl)-2,4-dinitroaniline
TL;DR: N-(furan-2-ylmethyl)-2,4-dinitroaniline (CAS 124397-63-3) is a chemical compound with molecular formula C11H9N3O5 and molecular weight 263.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-2,4-dinitroaniline
Also Known As: N-(furan-2-ylmethyl)-2,4-dinitroaniline, N-(2-furylmethyl)-2,4-dinitroaniline, (2,4-Dinitro-phenyl)-furan-2-ylmethyl-amine, (2,4-dinitrophenyl)(2-furylmethyl)amine, BAS 00341312
| Molecular Formula | C11H9N3O5 |
|---|---|
| Molecular Weight | 263.05 g/mol |
| LogP | 2.7081 |
| Topological Polar Surface Area | 111.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.05423 |
| Heavy Atoms | 19 |
| Complexity | 608.79816 |
Chemical Identifiers
| CAS Number | 124397-63-3 |
|---|---|
| SMILES | C1=COC(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-(furan-2-ylmethyl)-2,4-dinitroaniline (CAS 124397-63-3), with molecular formula C11H9N3O5 and molecular weight 263.05 g/mol. IUPAC: N-(furan-2-ylmethyl)-2,4-dinitroaniline.
Chemical Property Profile of N-(furan-2-ylmethyl)-2,4-dinitroaniline
Property Insights of N-(furan-2-ylmethyl)-2,4-dinitroaniline
The XLogP value of 2.7081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(furan-2-ylmethyl)-2,4-dinitroaniline. The TPSA of 111.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(furan-2-ylmethyl)-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-(furan-2-ylmethyl)-2,4-dinitroaniline has 1 hydrogen bond donor(s) and 6 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 N-(furan-2-ylmethyl)-2,4-dinitroaniline?
The CAS number of N-(furan-2-ylmethyl)-2,4-dinitroaniline is 124397-63-3.
What is the molecular formula of N-(furan-2-ylmethyl)-2,4-dinitroaniline?
The molecular formula of N-(furan-2-ylmethyl)-2,4-dinitroaniline is C11H9N3O5.
What is the molecular weight of N-(furan-2-ylmethyl)-2,4-dinitroaniline?
The molecular weight of N-(furan-2-ylmethyl)-2,4-dinitroaniline is 263.05 g/mol.
Where can I buy N-(furan-2-ylmethyl)-2,4-dinitroaniline?
You can request a quote for N-(furan-2-ylmethyl)-2,4-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(furan-2-ylmethyl)-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(furan-2-ylmethyl)-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.