BAS 12290890
TL;DR: BAS 12290890 (CAS 777871-07-5) is a chemical compound with molecular formula C18H18F2N4OS and molecular weight 376.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,5-difluorophenyl)-6,6-dimethyl-2-methylsulfanyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 12290890, 9-(3,5-difluorophenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(3,5-difluorophenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 9-(3,5-difluorophenyl)-6,6-dimethyl-2-(methylthio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(3,5-difluorophenyl)-6,6-dimethyl-2-methylsulfanyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C18H18F2N4OS |
|---|---|
| Molecular Weight | 376.12 g/mol |
| LogP | 3.9363 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.11694 |
| Heavy Atoms | 26 |
| Complexity | 930.4129 |
Chemical Identifiers
| CAS Number | 777871-07-5 |
|---|---|
| SMILES | CC1(CC2=C(C(N3C(=NC(=N3)SC)N2)C4=CC(=CC(=C4)F)F)C(=O)C1)C |
Product Overview
BAS 12290890 (CAS 777871-07-5), with molecular formula C18H18F2N4OS and molecular weight 376.12 g/mol. IUPAC: 9-(3,5-difluorophenyl)-6,6-dimethyl-2-methylsulfanyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of BAS 12290890
Property Insights of BAS 12290890
The XLogP value of 3.9363 indicates that BAS 12290890 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 12290890 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 12290890 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 BAS 12290890?
The CAS number of BAS 12290890 is 777871-07-5.
What is the molecular formula of BAS 12290890?
The molecular formula of BAS 12290890 is C18H18F2N4OS.
What is the molecular weight of BAS 12290890?
The molecular weight of BAS 12290890 is 376.12 g/mol.
Where can I buy BAS 12290890?
You can request a quote for BAS 12290890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12290890?
Yes, KEHONG BIO provides custom synthesis services for BAS 12290890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.