BAS 14594187
TL;DR: BAS 14594187 (CAS 878993-95-4) is a chemical compound with molecular formula C14H10ClF3N4O and molecular weight 342.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: BAS 14594187, 6-(4-chlorobenzyl)-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 6-(4-chlorobenzyl)-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, 6-(4-chlorobenzyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 6-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C14H10ClF3N4O |
|---|---|
| Molecular Weight | 342.05 g/mol |
| LogP | 2.98902 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.04953 |
| Heavy Atoms | 23 |
| Complexity | 928.07587 |
Chemical Identifiers
| CAS Number | 878993-95-4 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)C(F)(F)F)CC3=CC=C(C=C3)Cl |
Product Overview
BAS 14594187 (CAS 878993-95-4), with molecular formula C14H10ClF3N4O and molecular weight 342.05 g/mol. IUPAC: 6-[(4-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of BAS 14594187
Property Insights of BAS 14594187
The XLogP value of 2.98902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 14594187. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 14594187. Following Lipinski's Rule of Five, BAS 14594187 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 BAS 14594187?
The CAS number of BAS 14594187 is 878993-95-4.
What is the molecular formula of BAS 14594187?
The molecular formula of BAS 14594187 is C14H10ClF3N4O.
What is the molecular weight of BAS 14594187?
The molecular weight of BAS 14594187 is 342.05 g/mol.
Where can I buy BAS 14594187?
You can request a quote for BAS 14594187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 14594187?
Yes, KEHONG BIO provides custom synthesis services for BAS 14594187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.