RefChem:1064308
TL;DR: RefChem:1064308 (CAS 38060-01-4) is a chemical compound with molecular formula C16H12ClF3N2O2 and molecular weight 356.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-[3-(trifluoromethyl)phenyl]propan-2-ylideneamino] 2-chloropyridine-3-carboxylate
Also Known As: 1-(3-(Trifluoromethyl)phenyl)-2-propanone O-((2-chloro-3-pyridinyl)carbonyl)oxime, 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-((2-chloro-3-pyridinyl)carbonyl)oxime, RefChem:1064308, BRN 0444737
| Molecular Formula | C16H12ClF3N2O2 |
|---|---|
| Molecular Weight | 356.05 g/mol |
| LogP | 4.5292 |
| Topological Polar Surface Area | 51.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.05392 |
| Heavy Atoms | 24 |
| Complexity | 775.913 |
Chemical Identifiers
| CAS Number | 38060-01-4 |
|---|---|
| SMILES | C/C(=N\OC(=O)C1=C(N=CC=C1)Cl)/CC2=CC(=CC=C2)C(F)(F)F |
Product Overview
RefChem:1064308 (CAS 38060-01-4), with molecular formula C16H12ClF3N2O2 and molecular weight 356.05 g/mol. IUPAC: [(E)-1-[3-(trifluoromethyl)phenyl]propan-2-ylideneamino] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of RefChem:1064308
Property Insights of RefChem:1064308
The XLogP value of 4.5292 indicates that RefChem:1064308 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.55 Ų, RefChem:1064308 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1064308 has 0 hydrogen bond donor(s) and 4 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 RefChem:1064308?
The CAS number of RefChem:1064308 is 38060-01-4.
What is the molecular formula of RefChem:1064308?
The molecular formula of RefChem:1064308 is C16H12ClF3N2O2.
What is the molecular weight of RefChem:1064308?
The molecular weight of RefChem:1064308 is 356.05 g/mol.
Where can I buy RefChem:1064308?
You can request a quote for RefChem:1064308 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064308?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064308 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.