BAS 12534525
TL;DR: BAS 12534525 (CAS 876668-03-0) is a chemical compound with molecular formula C14H9F3N4O2 and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(furan-2-yl)-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 12534525, 6-(2-furyl)-2-(trifluoromethyl)-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one, 6-(furan-2-yl)-2-(trifluoromethyl)-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one, 6-(2-furyl)-2-(trifluoromethyl)-5,6,7,10-tetrahydro-1,2,4-triazolo[5,1-b]quina zolin-8-one, 6-(furan-2-yl)-2-(trifluoromethyl)-6,7-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
| Molecular Formula | C14H9F3N4O2 |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | 2.6488 |
| Topological Polar Surface Area | 73.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.06775 |
| Heavy Atoms | 23 |
| Complexity | 898.7734 |
Chemical Identifiers
| CAS Number | 876668-03-0 |
|---|---|
| SMILES | C1C(CC(=O)C2=CN3C(=NC(=N3)C(F)(F)F)N=C21)C4=CC=CO4 |
Product Overview
BAS 12534525 (CAS 876668-03-0), with molecular formula C14H9F3N4O2 and molecular weight 322.07 g/mol. IUPAC: 6-(furan-2-yl)-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of BAS 12534525
Property Insights of BAS 12534525
The XLogP value of 2.6488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12534525. The TPSA of 73.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12534525. Following Lipinski's Rule of Five, BAS 12534525 has 0 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 BAS 12534525?
The CAS number of BAS 12534525 is 876668-03-0.
What is the molecular formula of BAS 12534525?
The molecular formula of BAS 12534525 is C14H9F3N4O2.
What is the molecular weight of BAS 12534525?
The molecular weight of BAS 12534525 is 322.07 g/mol.
Where can I buy BAS 12534525?
You can request a quote for BAS 12534525 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12534525?
Yes, KEHONG BIO provides custom synthesis services for BAS 12534525 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.