3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole
TL;DR: 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole (CAS 122476-88-4) is a chemical compound with molecular formula C10H6Cl2N2O2 and molecular weight 255.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole
Also Known As: Pyrrolnitrin der., 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole, 3-(3,4-dichlorophenyl)-4-nitropyrrole, 4-(3,4-Dichlorophenyl)-3-nitropyrrole, 4-(3,4-Dichlorophenyl)-3-nitro-1H-pyrrole
| Molecular Formula | C10H6Cl2N2O2 |
|---|---|
| Molecular Weight | 255.98 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.98064 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 122476-88-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=CNC=C2[N+](=O)[O-])Cl)Cl |
| InChIKey | QXRUCCDIYORSIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole (CAS 122476-88-4), with molecular formula C10H6Cl2N2O2 and molecular weight 255.98 g/mol. IUPAC: 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole.
Chemical Property Profile of 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole
Property Insights of 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole
The XLogP value of 3.4 indicates that 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole. Following Lipinski's Rule of Five, 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole has 1 hydrogen bond donor(s) and 2 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 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole?
The CAS number of 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole is 122476-88-4.
What is the molecular formula of 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole?
The molecular formula of 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole is C10H6Cl2N2O2.
What is the molecular weight of 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole?
The molecular weight of 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole is 255.98 g/mol.
Where can I buy 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole?
You can request a quote for 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dichlorophenyl)-4-nitro-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.