BAS 12290859
TL;DR: BAS 12290859 (CAS 777870-45-8) is a chemical compound with molecular formula C18H18F2N4O and molecular weight 344.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,5-difluorophenyl)-2,6,6-trimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 12290859, 9-(3,5-difluorophenyl)-2,6,6-trimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 9-(3,5-difluorophenyl)-2,6,6-trimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 9-(3,5-difluorophenyl)-2,6,6-trimethyl-4,5,6,7,9,10-hexahydro-1,2,4-triazolo[5 ,1-b]quinazolin-8-one, 9-(3,5-difluorophenyl)-2,6,6-trimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
| Molecular Formula | C18H18F2N4O |
|---|---|
| Molecular Weight | 344.14 g/mol |
| LogP | 3.52282 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.14487 |
| Heavy Atoms | 25 |
| Complexity | 908.90247 |
Chemical Identifiers
| CAS Number | 777870-45-8 |
|---|---|
| SMILES | CC1=NN2C(C3=C(CC(CC3=O)(C)C)NC2=N1)C4=CC(=CC(=C4)F)F |
Product Overview
BAS 12290859 (CAS 777870-45-8), with molecular formula C18H18F2N4O and molecular weight 344.14 g/mol. IUPAC: 9-(3,5-difluorophenyl)-2,6,6-trimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of BAS 12290859
Property Insights of BAS 12290859
The XLogP value of 3.52282 indicates that BAS 12290859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, BAS 12290859 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 12290859 has 1 hydrogen bond donor(s) and 4 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 12290859?
The CAS number of BAS 12290859 is 777870-45-8.
What is the molecular formula of BAS 12290859?
The molecular formula of BAS 12290859 is C18H18F2N4O.
What is the molecular weight of BAS 12290859?
The molecular weight of BAS 12290859 is 344.14 g/mol.
Where can I buy BAS 12290859?
You can request a quote for BAS 12290859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12290859?
Yes, KEHONG BIO provides custom synthesis services for BAS 12290859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.