3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid
TL;DR: 3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid (CAS 35477-93-1) is a chemical compound with molecular formula C16H8ClF3O2 and molecular weight 324.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid
Also Known As: 3-chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid, 9-Phenanthrenecarboxylicacid, 3-chloro-6-(trifluoromethyl)-, 9-Phenanthrenecarboxylicacid,3-chloro-6-(trifluoromethyl)
| Molecular Formula | C16H8ClF3O2 |
|---|---|
| Molecular Weight | 324.02 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.01648 |
| Heavy Atoms | 22 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 35477-93-1 |
|---|---|
| SMILES | C1=CC(=CC2=C3C=C(C=CC3=C(C=C21)C(=O)O)C(F)(F)F)Cl |
| InChIKey | SKCSHFCBSMHEQY-UHFFFAOYSA-N |
Product Overview
3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid (CAS 35477-93-1), with molecular formula C16H8ClF3O2 and molecular weight 324.02 g/mol. IUPAC: 3-chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid.
Chemical Property Profile of 3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid
Property Insights of 3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid
The XLogP value of 5.5 indicates that 3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid?
The CAS number of 3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid is 35477-93-1.
What is the molecular formula of 3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid?
The molecular formula of 3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid is C16H8ClF3O2.
What is the molecular weight of 3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid?
The molecular weight of 3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid is 324.02 g/mol.
Where can I buy 3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid?
You can request a quote for 3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-6-(trifluoromethyl)phenanthrene-9-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.