ChemDiv3_014861
TL;DR: ChemDiv3_014861 (CAS 714214-05-8) is a chemical compound with molecular formula C20H14F3N5O2 and molecular weight 413.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
Also Known As: ChemDiv3_014861, AB01276660-01, 2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide, [2-(benzoxazol-2-ylamino)-4-methylpyrimidin-5-yl]-N-[3-(trifluoromethyl)phenyl ]carboxamide, 2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-5-pyrimidinecarboxamide
| Molecular Formula | C20H14F3N5O2 |
|---|---|
| Molecular Weight | 413.11 g/mol |
| LogP | 4.94092 |
| Topological Polar Surface Area | 92.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.10995 |
| Heavy Atoms | 30 |
| Complexity | 1203.5745 |
Chemical Identifiers
| CAS Number | 714214-05-8 |
|---|---|
| SMILES | CC1=NC(=NC=C1C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=NC4=CC=CC=C4O3 |
Product Overview
ChemDiv3_014861 (CAS 714214-05-8), with molecular formula C20H14F3N5O2 and molecular weight 413.11 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.
Chemical Property Profile of ChemDiv3_014861
Property Insights of ChemDiv3_014861
The XLogP value of 4.94092 indicates that ChemDiv3_014861 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_014861. Following Lipinski's Rule of Five, ChemDiv3_014861 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 ChemDiv3_014861?
The CAS number of ChemDiv3_014861 is 714214-05-8.
What is the molecular formula of ChemDiv3_014861?
The molecular formula of ChemDiv3_014861 is C20H14F3N5O2.
What is the molecular weight of ChemDiv3_014861?
The molecular weight of ChemDiv3_014861 is 413.11 g/mol.
Where can I buy ChemDiv3_014861?
You can request a quote for ChemDiv3_014861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014861?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.