BAS 12290899
TL;DR: BAS 12290899 (CAS 777871-25-7) is a chemical compound with molecular formula C20H20F2N4O3S and molecular weight 434.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[9-(3,5-difluorophenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl]acetate
Also Known As: BAS 12290899, methyl {[9-(3,5-difluorophenyl)-6,6-dimethyl-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-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate, methyl 2-((9-(3,5-difluorophenyl)-6,6-dimethyl-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)-6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl]acetate
| Molecular Formula | C20H20F2N4O3S |
|---|---|
| Molecular Weight | 434.12 g/mol |
| LogP | 3.4795 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.1224 |
| Heavy Atoms | 30 |
| Complexity | 1059.749 |
Chemical Identifiers
| CAS Number | 777871-25-7 |
|---|---|
| SMILES | CC1(CC2=C(C(N3C(=NC(=N3)SCC(=O)OC)N2)C4=CC(=CC(=C4)F)F)C(=O)C1)C |
Product Overview
BAS 12290899 (CAS 777871-25-7), with molecular formula C20H20F2N4O3S and molecular weight 434.12 g/mol. IUPAC: methyl 2-[[9-(3,5-difluorophenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl]acetate.
Chemical Property Profile of BAS 12290899
Property Insights of BAS 12290899
The XLogP value of 3.4795 indicates that BAS 12290899 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12290899. Following Lipinski's Rule of Five, BAS 12290899 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 12290899?
The CAS number of BAS 12290899 is 777871-25-7.
What is the molecular formula of BAS 12290899?
The molecular formula of BAS 12290899 is C20H20F2N4O3S.
What is the molecular weight of BAS 12290899?
The molecular weight of BAS 12290899 is 434.12 g/mol.
Where can I buy BAS 12290899?
You can request a quote for BAS 12290899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12290899?
Yes, KEHONG BIO provides custom synthesis services for BAS 12290899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.