BAS 12290898
TL;DR: BAS 12290898 (CAS 777871-23-5) is a chemical compound with molecular formula C18H16F2N4O3S and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[9-(3,5-difluorophenyl)-8-oxo-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl]acetate
Also Known As: BAS 12290898, methyl {[9-(3,5-difluorophenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate, methyl {[9-(3,5-difluorophenyl)-8-hydroxy-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate, methyl 2-((9-(3,5-difluorophenyl)-8-oxo-4,5,6,7,8,9-hexahydro-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)thio)acetate, methyl 2-[[9-(3,5-difluorophenyl)-8-oxo-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl]acetate
| Molecular Formula | C18H16F2N4O3S |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 2.8434 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.09113 |
| Heavy Atoms | 28 |
| Complexity | 984.4621 |
Chemical Identifiers
| CAS Number | 777871-23-5 |
|---|---|
| SMILES | COC(=O)CSC1=NN2C(C3=C(CCCC3=O)NC2=N1)C4=CC(=CC(=C4)F)F |
Product Overview
BAS 12290898 (CAS 777871-23-5), with molecular formula C18H16F2N4O3S and molecular weight 406.09 g/mol. IUPAC: methyl 2-[[9-(3,5-difluorophenyl)-8-oxo-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl]acetate.
Chemical Property Profile of BAS 12290898
Property Insights of BAS 12290898
The XLogP value of 2.8434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12290898. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12290898. Following Lipinski's Rule of Five, BAS 12290898 has 1 hydrogen bond donor(s) and 7 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 12290898?
The CAS number of BAS 12290898 is 777871-23-5.
What is the molecular formula of BAS 12290898?
The molecular formula of BAS 12290898 is C18H16F2N4O3S.
What is the molecular weight of BAS 12290898?
The molecular weight of BAS 12290898 is 406.09 g/mol.
Where can I buy BAS 12290898?
You can request a quote for BAS 12290898 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12290898?
Yes, KEHONG BIO provides custom synthesis services for BAS 12290898 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.