RefChem:314826
TL;DR: RefChem:314826 (CAS 67026-79-3) is a chemical compound with molecular formula C13H17F3N4O and molecular weight 302.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-N-[N'-(2-methylbutan-2-yl)-N-pyridin-3-ylcarbamimidoyl]acetamide
Also Known As: 5-22-09-00035 (Beilstein Handbook Reference), Acetamide, N-(((1,1-dimethylpropyl)amino)(3-pyridinylamino)methylene)-2,2,2-trifluoro-, N-((tert-Pentylamino)(3-pyridylamino)methylene)-2,2,2-trifluoroacetamide, Acetamide, N-((tert-pentylamino)(3-pyridylamino)methylene)-2,2,2-trifluoro-, N-(((1,1-Dimethylpropyl)amino)(3-pyridinylamino)methylene)-2,2,2-trifluoroacetamide
| Molecular Formula | C13H17F3N4O |
|---|---|
| Molecular Weight | 302.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.13544 |
| Heavy Atoms | 21 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 67026-79-3 |
|---|---|
| SMILES | CCC(C)(C)N=C(NC1=CN=CC=C1)NC(=O)C(F)(F)F |
| InChIKey | FDOOCOKBXHBFCR-UHFFFAOYSA-N |
Product Overview
RefChem:314826 (CAS 67026-79-3), with molecular formula C13H17F3N4O and molecular weight 302.14 g/mol. IUPAC: 2,2,2-trifluoro-N-[N'-(2-methylbutan-2-yl)-N-pyridin-3-ylcarbamimidoyl]acetamide.
Chemical Property Profile of RefChem:314826
Property Insights of RefChem:314826
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:314826. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:314826. Following Lipinski's Rule of Five, RefChem:314826 has 2 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 RefChem:314826?
The CAS number of RefChem:314826 is 67026-79-3.
What is the molecular formula of RefChem:314826?
The molecular formula of RefChem:314826 is C13H17F3N4O.
What is the molecular weight of RefChem:314826?
The molecular weight of RefChem:314826 is 302.14 g/mol.
Where can I buy RefChem:314826?
You can request a quote for RefChem:314826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314826?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.