N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide
TL;DR: N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide (CAS 778-84-7) is a chemical compound with molecular formula C6H2Cl2F3N3O and molecular weight 258.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide
Also Known As: Thallium(1+), N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide, N-(4,6-Dichloropyrimidin-5-yl)tri(fluoro)ethanimidic acid, N-(4,6-Dichloropyrimidin-5-yl)-2,2,2-trifluoroethanimidic acid
| Molecular Formula | C6H2Cl2F3N3O |
|---|---|
| Molecular Weight | 258.95 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.9527 |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 778-84-7 |
|---|---|
| SMILES | C1=NC(=C(C(=N1)Cl)NC(=O)C(F)(F)F)Cl |
| InChIKey | KPDCRYHCVYWBQD-UHFFFAOYSA-N |
Product Overview
N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide (CAS 778-84-7), with molecular formula C6H2Cl2F3N3O and molecular weight 258.95 g/mol. IUPAC: N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide
Property Insights of N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide. With a topological polar surface area (TPSA) of 54.9 Ų, N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide 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 N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide?
The CAS number of N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide is 778-84-7.
What is the molecular formula of N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide?
The molecular formula of N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide is C6H2Cl2F3N3O.
What is the molecular weight of N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide?
The molecular weight of N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide is 258.95 g/mol.
Where can I buy N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide?
You can request a quote for N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.