ERO1 Inhibitor II
TL;DR: ERO1 Inhibitor II (CAS 496807-64-8) is a chemical compound with molecular formula C22H12ClF3N2O4 and molecular weight 460.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[(4Z)-5-oxo-4-[(5-phenylfuran-2-yl)methylidene]-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
Also Known As: ERO1 Inhibitor II, TimTec1_004186, EX-A14338, L-Methionine,L-arginyl-L-seryl-L-valyl, J2.853.940A
| Molecular Formula | C22H12ClF3N2O4 |
|---|---|
| Molecular Weight | 460.04 g/mol |
| LogP | 5.6467 |
| Topological Polar Surface Area | 83.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.04376 |
| Heavy Atoms | 32 |
| Complexity | 1279.8281 |
Chemical Identifiers
| CAS Number | 496807-64-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=NN(C3=O)C4=CC(=C(C=C4)Cl)C(=O)O)C(F)(F)F |
Product Overview
ERO1 Inhibitor II (CAS 496807-64-8), with molecular formula C22H12ClF3N2O4 and molecular weight 460.04 g/mol. IUPAC: 2-chloro-5-[(4Z)-5-oxo-4-[(5-phenylfuran-2-yl)methylidene]-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid.
Chemical Property Profile of ERO1 Inhibitor II
Property Insights of ERO1 Inhibitor II
The XLogP value of 5.6467 indicates that ERO1 Inhibitor II is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ERO1 Inhibitor II. Following Lipinski's Rule of Five, ERO1 Inhibitor II has 1 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 ERO1 Inhibitor II?
The CAS number of ERO1 Inhibitor II is 496807-64-8.
What is the molecular formula of ERO1 Inhibitor II?
The molecular formula of ERO1 Inhibitor II is C22H12ClF3N2O4.
What is the molecular weight of ERO1 Inhibitor II?
The molecular weight of ERO1 Inhibitor II is 460.04 g/mol.
Where can I buy ERO1 Inhibitor II?
You can request a quote for ERO1 Inhibitor II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ERO1 Inhibitor II?
Yes, KEHONG BIO provides custom synthesis services for ERO1 Inhibitor II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.