1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde
TL;DR: 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde (CAS 38492-84-1) is a chemical compound with molecular formula C16H7Cl2F3O and molecular weight 341.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloro-6-(trifluoromethyl)phenanthrene-9-carbaldehyde
Also Known As: EINECS 253-972-5, 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde, 1,3-dichloro-6-(trifluoromethyl)phenanthrene-9-carbaldehyde, 1,3-Dichloro-6-(trifluoromethyl)-9-phenanthrenecarbaldehyde, 1,3-Dichloro-6-trifluoromethyl-9-phenanthrenecarboxaldehyde
| Molecular Formula | C16H7Cl2F3O |
|---|---|
| Molecular Weight | 341.98 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 341.9826 |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 38492-84-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(F)(F)F)C3=C(C=C2C=O)C(=CC(=C3)Cl)Cl |
| InChIKey | ZBUKGLLJDMRAAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde (CAS 38492-84-1), with molecular formula C16H7Cl2F3O and molecular weight 341.98 g/mol. IUPAC: 1,3-dichloro-6-(trifluoromethyl)phenanthrene-9-carbaldehyde.
Chemical Property Profile of 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde
Property Insights of 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde
The XLogP value of 6.0 indicates that 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde?
The CAS number of 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde is 38492-84-1.
What is the molecular formula of 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde?
The molecular formula of 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde is C16H7Cl2F3O.
What is the molecular weight of 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde?
The molecular weight of 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde is 341.98 g/mol.
Where can I buy 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde?
You can request a quote for 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.