3C-138
TL;DR: 3C-138 (CAS 338403-22-8) is a chemical compound with molecular formula C14H11F6N3O2 and molecular weight 367.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-(dimethylaminomethylidene)-2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-3-one
Also Known As: 3C-138, (4E)-4-(dimethylaminomethylidene)-2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-3-one, (4E)-4-[(dimethylamino)methylidene]-1-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one, 4-[(dimethylamino)methylene]-2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C14H11F6N3O2 |
|---|---|
| Molecular Weight | 367.08 g/mol |
| LogP | 3.2956 |
| Topological Polar Surface Area | 45.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.07553 |
| Heavy Atoms | 25 |
| Complexity | 719.568 |
Chemical Identifiers
| CAS Number | 338403-22-8 |
|---|---|
| SMILES | CN(C)/C=C/1\C(=NN(C1=O)C2=CC=C(C=C2)OC(F)(F)F)C(F)(F)F |
Product Overview
3C-138 (CAS 338403-22-8), with molecular formula C14H11F6N3O2 and molecular weight 367.08 g/mol. IUPAC: (4E)-4-(dimethylaminomethylidene)-2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-3-one.
Chemical Property Profile of 3C-138
Property Insights of 3C-138
The XLogP value of 3.2956 indicates that 3C-138 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.14 Ų, 3C-138 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3C-138 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 3C-138?
The CAS number of 3C-138 is 338403-22-8.
What is the molecular formula of 3C-138?
The molecular formula of 3C-138 is C14H11F6N3O2.
What is the molecular weight of 3C-138?
The molecular weight of 3C-138 is 367.08 g/mol.
Where can I buy 3C-138?
You can request a quote for 3C-138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3C-138?
Yes, KEHONG BIO provides custom synthesis services for 3C-138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.