ChemDiv3_004418
TL;DR: ChemDiv3_004418 (CAS 332174-82-0) is a chemical compound with molecular formula C19H13ClF3NO3 and molecular weight 395.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,2-trifluoro-1-phenylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Also Known As: ChemDiv3_004418, BAS 01279289, IDI1_022328, UPCMLD0ENAT0508-3637:001, BRD-A60451462-001-01-8
| Molecular Formula | C19H13ClF3NO3 |
|---|---|
| Molecular Weight | 395.05 g/mol |
| LogP | 5.76382 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.05362 |
| Heavy Atoms | 27 |
| Complexity | 954.3338 |
Chemical Identifiers
| CAS Number | 332174-82-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OC(C3=CC=CC=C3)C(F)(F)F |
Product Overview
ChemDiv3_004418 (CAS 332174-82-0), with molecular formula C19H13ClF3NO3 and molecular weight 395.05 g/mol. IUPAC: (2,2,2-trifluoro-1-phenylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of ChemDiv3_004418
Property Insights of ChemDiv3_004418
The XLogP value of 5.76382 indicates that ChemDiv3_004418 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, ChemDiv3_004418 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004418 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 ChemDiv3_004418?
The CAS number of ChemDiv3_004418 is 332174-82-0.
What is the molecular formula of ChemDiv3_004418?
The molecular formula of ChemDiv3_004418 is C19H13ClF3NO3.
What is the molecular weight of ChemDiv3_004418?
The molecular weight of ChemDiv3_004418 is 395.05 g/mol.
Where can I buy ChemDiv3_004418?
You can request a quote for ChemDiv3_004418 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004418?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004418 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.