2,3,6-Trichloroindophenol
TL;DR: 2,3,6-Trichloroindophenol (CAS 6038-83-1) is a chemical compound with molecular formula C12H6Cl3NO2 and molecular weight 300.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3,5-trichloro-4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one
Also Known As: TCIP, 2,3,6-Trichloroindophenol, 4-(2,3,5-trichloro-4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one, 2,5-Cyclohexadien-1-one, 2-chloro-4-((3,5-dichloro-4-hydroxyphenyl)imino)-, 4-[(2,3,5-TRICHLORO-4-HYDROXYPHENYL)IMINO]CYCLOHEXA-2,5-DIEN-1-ONE
| Molecular Formula | C12H6Cl3NO2 |
|---|---|
| Molecular Weight | 300.95 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.9464 |
| Heavy Atoms | 18 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 6038-83-1 |
|---|---|
| SMILES | C1=CC(=O)C=CC1=NC2=CC(=C(C(=C2Cl)Cl)O)Cl |
| InChIKey | QTAZYNKIJHHMCG-UHFFFAOYSA-N |
Product Overview
2,3,6-Trichloroindophenol (CAS 6038-83-1), with molecular formula C12H6Cl3NO2 and molecular weight 300.95 g/mol. IUPAC: 4-(2,3,5-trichloro-4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,3,6-Trichloroindophenol
Property Insights of 2,3,6-Trichloroindophenol
The XLogP value of 3.4 indicates that 2,3,6-Trichloroindophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 2,3,6-Trichloroindophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6-Trichloroindophenol has 1 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 2,3,6-Trichloroindophenol?
The CAS number of 2,3,6-Trichloroindophenol is 6038-83-1.
What is the molecular formula of 2,3,6-Trichloroindophenol?
The molecular formula of 2,3,6-Trichloroindophenol is C12H6Cl3NO2.
What is the molecular weight of 2,3,6-Trichloroindophenol?
The molecular weight of 2,3,6-Trichloroindophenol is 300.95 g/mol.
Where can I buy 2,3,6-Trichloroindophenol?
You can request a quote for 2,3,6-Trichloroindophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-Trichloroindophenol?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-Trichloroindophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.