Chlornitrofen
TL;DR: Chlornitrofen (CAS 1836-77-7) is a chemical compound with molecular formula C12H6Cl3NO3 and molecular weight 316.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trichloro-2-(4-nitrophenoxy)benzene
Also Known As: Chlornitrofen, Chlornitrofen [ISO], Chloronitrofen, Chlonitrofen, Showrone
| Molecular Formula | C12H6Cl3NO3 |
|---|---|
| Molecular Weight | 316.94 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.9413 |
| Heavy Atoms | 19 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 1836-77-7 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2Cl)Cl)Cl |
| InChIKey | XQNAUQUKWRBODG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlornitrofen (CAS 1836-77-7), with molecular formula C12H6Cl3NO3 and molecular weight 316.94 g/mol. IUPAC: 1,3,5-trichloro-2-(4-nitrophenoxy)benzene.
Chemical Property Profile of Chlornitrofen
Property Insights of Chlornitrofen
The XLogP value of 4.7 indicates that Chlornitrofen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, Chlornitrofen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlornitrofen has 0 hydrogen bond donor(s) and 3 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 Chlornitrofen?
The CAS number of Chlornitrofen is 1836-77-7.
What is the molecular formula of Chlornitrofen?
The molecular formula of Chlornitrofen is C12H6Cl3NO3.
What is the molecular weight of Chlornitrofen?
The molecular weight of Chlornitrofen is 316.94 g/mol.
Where can I buy Chlornitrofen?
You can request a quote for Chlornitrofen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlornitrofen?
Yes, KEHONG BIO provides custom synthesis services for Chlornitrofen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.