4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline
TL;DR: 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline (CAS 340318-99-2) is a chemical compound with molecular formula C17H17N3O3 and molecular weight 311.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline
Also Known As: 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline
| Molecular Formula | C17H17N3O3 |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 4.20744 |
| Topological Polar Surface Area | 73.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.12698 |
| Heavy Atoms | 23 |
| Complexity | 815.3981 |
Chemical Identifiers
| CAS Number | 340318-99-2 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-])C |
Product Overview
4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline (CAS 340318-99-2), with molecular formula C17H17N3O3 and molecular weight 311.13 g/mol. IUPAC: 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline.
Chemical Property Profile of 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline
Property Insights of 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline
The XLogP value of 4.20744 indicates that 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline. Following Lipinski's Rule of Five, 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline 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-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline?
The CAS number of 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline is 340318-99-2.
What is the molecular formula of 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline?
The molecular formula of 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline is C17H17N3O3.
What is the molecular weight of 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline?
The molecular weight of 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline is 311.13 g/mol.
Where can I buy 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline?
You can request a quote for 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-dimethylpyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.