1C-100
TL;DR: 1C-100 (CAS 320425-06-7) is a chemical compound with molecular formula C14H14F3N3O3 and molecular weight 329.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dimethoxyphenyl)iminomethyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: 1C-100, 4-[(2,4-dimethoxyanilino)methylene]-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (4Z)-4-{[(2,4-dimethoxyphenyl)amino]methylidene}-1-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one, 4-[(2,4-dimethoxyphenyl)iminomethyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one, (4Z)-4-[(2,4-dimethoxyanilino)methylidene]-2-methyl-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C14H14F3N3O3 |
|---|---|
| Molecular Weight | 329.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 68.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.09872 |
| Heavy Atoms | 23 |
| Complexity | 790.7859 |
Chemical Identifiers
| CAS Number | 320425-06-7 |
|---|---|
| SMILES | CN1C(=O)C(=C(N1)C(F)(F)F)C=NC2=C(C=C(C=C2)OC)OC |
Product Overview
1C-100 (CAS 320425-06-7), with molecular formula C14H14F3N3O3 and molecular weight 329.10 g/mol. IUPAC: 4-[(2,4-dimethoxyphenyl)iminomethyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of 1C-100
Property Insights of 1C-100
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1C-100. The TPSA of 68.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 1C-100. Following Lipinski's Rule of Five, 1C-100 has 1 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 1C-100?
The CAS number of 1C-100 is 320425-06-7.
What is the molecular formula of 1C-100?
The molecular formula of 1C-100 is C14H14F3N3O3.
What is the molecular weight of 1C-100?
The molecular weight of 1C-100 is 329.10 g/mol.
Where can I buy 1C-100?
You can request a quote for 1C-100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1C-100?
Yes, KEHONG BIO provides custom synthesis services for 1C-100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.