7H-945
TL;DR: 7H-945 (CAS 318951-76-7) is a chemical compound with molecular formula C20H15ClF3N5O and molecular weight 433.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-3-yl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: 7H-945, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5,5'-dimethyl-2'-phenyl-2H,2'H-[3,4'-bipyrazole]-3'-ol, Bi-5-(1-(3-Chloro-5-(trifluoromethyl)pyrid-2-yl)-3-methyl-1H-pyrazole)-4'-(1-phenyl-1H-5-pyrazolol), 4-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methylpyrazol-3-yl]-5-methyl-2-phenyl-1H-pyrazol-3-one, Bi-5-{1-{3-chloro-5-(trifluoromethyl)pyrid-2-yl]-3-methyl-1H-pyrazole}-4'-(1-phenyl-1H-5-pyrazolol)
| Molecular Formula | C20H15ClF3N5O |
|---|---|
| Molecular Weight | 433.09 g/mol |
| LogP | 4.70234 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.09174 |
| Heavy Atoms | 30 |
| Complexity | 1288.2571 |
Chemical Identifiers
| CAS Number | 318951-76-7 |
|---|---|
| SMILES | CC1=NN(C(=C1)C2=C(NN(C2=O)C3=CC=CC=C3)C)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
7H-945 (CAS 318951-76-7), with molecular formula C20H15ClF3N5O and molecular weight 433.09 g/mol. IUPAC: 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-3-yl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 7H-945
Property Insights of 7H-945
The XLogP value of 4.70234 indicates that 7H-945 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-945. Following Lipinski's Rule of Five, 7H-945 has 1 hydrogen bond donor(s) and 3 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 7H-945?
The CAS number of 7H-945 is 318951-76-7.
What is the molecular formula of 7H-945?
The molecular formula of 7H-945 is C20H15ClF3N5O.
What is the molecular weight of 7H-945?
The molecular weight of 7H-945 is 433.09 g/mol.
Where can I buy 7H-945?
You can request a quote for 7H-945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-945?
Yes, KEHONG BIO provides custom synthesis services for 7H-945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.