Hydroxychlornitrofen
TL;DR: Hydroxychlornitrofen (CAS 68906-24-1) is a chemical compound with molecular formula C12H7Cl3O2 and molecular weight 287.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4,6-trichlorophenoxy)phenol
Also Known As: Hydroxychlornitrofen, 4-(2,4,6-trichlorophenoxy)phenol, Phenol,4-(2,4,6-trichlorophenoxy)-, RefChem:348387
| Molecular Formula | C12H7Cl3O2 |
|---|---|
| Molecular Weight | 287.95 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.95117 |
| Heavy Atoms | 17 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 68906-24-1 |
|---|---|
| SMILES | C1=CC(=CC=C1O)OC2=C(C=C(C=C2Cl)Cl)Cl |
| InChIKey | PWJFMODCCVSDJZ-UHFFFAOYSA-N |
Product Overview
Hydroxychlornitrofen (CAS 68906-24-1), with molecular formula C12H7Cl3O2 and molecular weight 287.95 g/mol. IUPAC: 4-(2,4,6-trichlorophenoxy)phenol.
Chemical Property Profile of Hydroxychlornitrofen
Property Insights of Hydroxychlornitrofen
The XLogP value of 4.5 indicates that Hydroxychlornitrofen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Hydroxychlornitrofen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroxychlornitrofen 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 Hydroxychlornitrofen?
The CAS number of Hydroxychlornitrofen is 68906-24-1.
What is the molecular formula of Hydroxychlornitrofen?
The molecular formula of Hydroxychlornitrofen is C12H7Cl3O2.
What is the molecular weight of Hydroxychlornitrofen?
The molecular weight of Hydroxychlornitrofen is 287.95 g/mol.
Where can I buy Hydroxychlornitrofen?
You can request a quote for Hydroxychlornitrofen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxychlornitrofen?
Yes, KEHONG BIO provides custom synthesis services for Hydroxychlornitrofen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.