2H-973
TL;DR: 2H-973 (CAS 400079-36-9) is a chemical compound with molecular formula C17H8ClF3N4O3 and molecular weight 408.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 2H-973, 1-[3-chloro-4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carbonitrile, 1-(3-chloro-4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 1-(3-Chloro-4-((5-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 1-(3-chloro-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
| Molecular Formula | C17H8ClF3N4O3 |
|---|---|
| Molecular Weight | 408.02 g/mol |
| LogP | 3.25698 |
| Topological Polar Surface Area | 100.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.0237 |
| Heavy Atoms | 28 |
| Complexity | 1194.4854 |
Chemical Identifiers
| CAS Number | 400079-36-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2C=C(C(=O)NC2=O)C#N)Cl)OC3=NC=C(C=C3)C(F)(F)F |
Product Overview
2H-973 (CAS 400079-36-9), with molecular formula C17H8ClF3N4O3 and molecular weight 408.02 g/mol. IUPAC: 1-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 2H-973
Property Insights of 2H-973
The XLogP value of 3.25698 indicates that 2H-973 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-973. Following Lipinski's Rule of Five, 2H-973 has 1 hydrogen bond donor(s) and 5 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 2H-973?
The CAS number of 2H-973 is 400079-36-9.
What is the molecular formula of 2H-973?
The molecular formula of 2H-973 is C17H8ClF3N4O3.
What is the molecular weight of 2H-973?
The molecular weight of 2H-973 is 408.02 g/mol.
Where can I buy 2H-973?
You can request a quote for 2H-973 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-973?
Yes, KEHONG BIO provides custom synthesis services for 2H-973 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.