3-Trifluoromethylbenzoic acid, morpholide
TL;DR: 3-Trifluoromethylbenzoic acid, morpholide (CAS 344587-33-3) is a chemical compound with molecular formula C12H12F3NO2 and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
morpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone
Also Known As: 3-Trifluoromethylbenzoic acid, morpholide, morpholino(3-(trifluoromethyl)phenyl)methanone, 4-[3-(trifluoromethyl)benzoyl]morpholine, Morpholino[3-(trifluoromethyl)phenyl] ketone, J3.301.343D
| Molecular Formula | C12H12F3NO2 |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.082 |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 344587-33-3 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=CC(=CC=C2)C(F)(F)F |
| InChIKey | YWQNAFUPXWKYRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Trifluoromethylbenzoic acid, morpholide (CAS 344587-33-3), with molecular formula C12H12F3NO2 and molecular weight 259.08 g/mol. IUPAC: morpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone.
Chemical Property Profile of 3-Trifluoromethylbenzoic acid, morpholide
Property Insights of 3-Trifluoromethylbenzoic acid, morpholide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Trifluoromethylbenzoic acid, morpholide. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Trifluoromethylbenzoic acid, morpholide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Trifluoromethylbenzoic acid, morpholide has 0 hydrogen bond donor(s) and 5 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-Trifluoromethylbenzoic acid, morpholide?
The CAS number of 3-Trifluoromethylbenzoic acid, morpholide is 344587-33-3.
What is the molecular formula of 3-Trifluoromethylbenzoic acid, morpholide?
The molecular formula of 3-Trifluoromethylbenzoic acid, morpholide is C12H12F3NO2.
What is the molecular weight of 3-Trifluoromethylbenzoic acid, morpholide?
The molecular weight of 3-Trifluoromethylbenzoic acid, morpholide is 259.08 g/mol.
Where can I buy 3-Trifluoromethylbenzoic acid, morpholide?
You can request a quote for 3-Trifluoromethylbenzoic acid, morpholide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Trifluoromethylbenzoic acid, morpholide?
Yes, KEHONG BIO provides custom synthesis services for 3-Trifluoromethylbenzoic acid, morpholide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.