Pyrrolnitrin
TL;DR: Pyrrolnitrin (CAS 1018-71-9) 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-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole
Also Known As: Pyrrolnitrin, Pyrrolnitrine, Pyroace, Pirrolnitrina, Pyrrolnitrinum
| Molecular Formula | C10H6Cl2N2O2 |
|---|---|
| Molecular Weight | 255.98 g/mol |
| LogP | 4.4 |
| 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 | 1018-71-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl |
| InChIKey | QJBZDBLBQWFTPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrrolnitrin (CAS 1018-71-9), with molecular formula C10H6Cl2N2O2 and molecular weight 255.98 g/mol. IUPAC: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole.
Chemical Property Profile of Pyrrolnitrin
Property Insights of Pyrrolnitrin
The XLogP value of 4.4 indicates that Pyrrolnitrin 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 Pyrrolnitrin. Following Lipinski's Rule of Five, Pyrrolnitrin 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 Pyrrolnitrin?
The CAS number of Pyrrolnitrin is 1018-71-9.
What is the molecular formula of Pyrrolnitrin?
The molecular formula of Pyrrolnitrin is C10H6Cl2N2O2.
What is the molecular weight of Pyrrolnitrin?
The molecular weight of Pyrrolnitrin is 255.98 g/mol.
Where can I buy Pyrrolnitrin?
You can request a quote for Pyrrolnitrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolnitrin?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolnitrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.