3,5-Bis(trifluoromethyl)benzaldehyde
TL;DR: 3,5-Bis(trifluoromethyl)benzaldehyde (CAS 401-95-6) is a chemical compound with molecular formula C9H4F6O and molecular weight 242.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(trifluoromethyl)benzaldehyde
Also Known As: 3,5-Bis(trifluoromethyl)benzaldehyde, MBT-BAD, 3,5-di(Trifluoromethyl)benzaldehyde, LDWLIXZSDPXYDR-UHFFFAOYSA-, 3,5-Bistrifluoromethylbenzaldehyde
| Molecular Formula | C9H4F6O |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.01663 |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 401-95-6 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=O |
| InChIKey | LDWLIXZSDPXYDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Bis(trifluoromethyl)benzaldehyde (CAS 401-95-6), with molecular formula C9H4F6O and molecular weight 242.02 g/mol. IUPAC: 3,5-bis(trifluoromethyl)benzaldehyde.
Chemical Property Profile of 3,5-Bis(trifluoromethyl)benzaldehyde
Property Insights of 3,5-Bis(trifluoromethyl)benzaldehyde
The XLogP value of 3.7 indicates that 3,5-Bis(trifluoromethyl)benzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3,5-Bis(trifluoromethyl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)benzaldehyde has 0 hydrogen bond donor(s) and 7 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 3,5-Bis(trifluoromethyl)benzaldehyde?
The CAS number of 3,5-Bis(trifluoromethyl)benzaldehyde is 401-95-6.
What is the molecular formula of 3,5-Bis(trifluoromethyl)benzaldehyde?
The molecular formula of 3,5-Bis(trifluoromethyl)benzaldehyde is C9H4F6O.
What is the molecular weight of 3,5-Bis(trifluoromethyl)benzaldehyde?
The molecular weight of 3,5-Bis(trifluoromethyl)benzaldehyde is 242.02 g/mol.
Where can I buy 3,5-Bis(trifluoromethyl)benzaldehyde?
You can request a quote for 3,5-Bis(trifluoromethyl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(trifluoromethyl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(trifluoromethyl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.