3C-144
TL;DR: 3C-144 (CAS 338403-30-8) is a chemical compound with molecular formula C18H11F6N3O4S and molecular weight 479.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[3-oxo-2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxylate
Also Known As: 3C-144, methyl 3-({[5-oxo-1-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)-2-thiophenecarboxylate, methyl 3-({[(4E)-5-oxo-1-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)thiophene-2-carboxylate, methyl 3-[[3-oxo-2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxylate, methyl 3-[[(E)-[5-oxo-1-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]amino]thiophene-2-carboxylate
| Molecular Formula | C18H11F6N3O4S |
|---|---|
| Molecular Weight | 479.04 g/mol |
| LogP | 4.6817 |
| Topological Polar Surface Area | 85.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.03745 |
| Heavy Atoms | 32 |
| Complexity | 1205.2587 |
Chemical Identifiers
| CAS Number | 338403-30-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)N=CC2=C(NN(C2=O)C3=CC=C(C=C3)OC(F)(F)F)C(F)(F)F |
Product Overview
3C-144 (CAS 338403-30-8), with molecular formula C18H11F6N3O4S and molecular weight 479.04 g/mol. IUPAC: methyl 3-[[3-oxo-2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxylate.
Chemical Property Profile of 3C-144
Property Insights of 3C-144
The XLogP value of 4.6817 indicates that 3C-144 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3C-144. Following Lipinski's Rule of Five, 3C-144 has 1 hydrogen bond donor(s) and 6 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 3C-144?
The CAS number of 3C-144 is 338403-30-8.
What is the molecular formula of 3C-144?
The molecular formula of 3C-144 is C18H11F6N3O4S.
What is the molecular weight of 3C-144?
The molecular weight of 3C-144 is 479.04 g/mol.
Where can I buy 3C-144?
You can request a quote for 3C-144 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3C-144?
Yes, KEHONG BIO provides custom synthesis services for 3C-144 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.