3X-0878
TL;DR: 3X-0878 (CAS 865660-38-4) is a chemical compound with molecular formula C19H15F3N4O and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
Also Known As: 3X-0878, N-[(4-methylphenyl)methyl]-2-(2-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide, N-[(4-methylphenyl)methyl]-2-(pyridin-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide, N-[(4-methylphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide, N-(4-methylbenzyl)-2-(2-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide
| Molecular Formula | C19H15F3N4O |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 3.79582 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.11978 |
| Heavy Atoms | 27 |
| Complexity | 941.41864 |
Chemical Identifiers
| CAS Number | 865660-38-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)C2=CN=C(N=C2C(F)(F)F)C3=CC=CC=N3 |
Product Overview
3X-0878 (CAS 865660-38-4), with molecular formula C19H15F3N4O and molecular weight 372.12 g/mol. IUPAC: N-[(4-methylphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide.
Chemical Property Profile of 3X-0878
Property Insights of 3X-0878
The XLogP value of 3.79582 indicates that 3X-0878 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 3X-0878. Following Lipinski's Rule of Five, 3X-0878 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 3X-0878?
The CAS number of 3X-0878 is 865660-38-4.
What is the molecular formula of 3X-0878?
The molecular formula of 3X-0878 is C19H15F3N4O.
What is the molecular weight of 3X-0878?
The molecular weight of 3X-0878 is 372.12 g/mol.
Where can I buy 3X-0878?
You can request a quote for 3X-0878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3X-0878?
Yes, KEHONG BIO provides custom synthesis services for 3X-0878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.