BAS 12290564
TL;DR: BAS 12290564 (CAS 777867-10-4) is a chemical compound with molecular formula C16H13ClN4OS and molecular weight 344.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 12290564, 2-[(2-chlorobenzyl)sulfanyl]-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one, 2-((2-chlorobenzyl)thio)-6,7-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one, 2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 2-[(2-chlorophenyl)methylthio]-5,6,7,10-tetrahydro-1,2,4-triazolo[5,1-b]quinaz olin-8-one
| Molecular Formula | C16H13ClN4OS |
|---|---|
| Molecular Weight | 344.05 g/mol |
| LogP | 3.589 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.04987 |
| Heavy Atoms | 23 |
| Complexity | 908.2317 |
Chemical Identifiers
| CAS Number | 777867-10-4 |
|---|---|
| SMILES | C1CC2=NC3=NC(=NN3C=C2C(=O)C1)SCC4=CC=CC=C4Cl |
Product Overview
BAS 12290564 (CAS 777867-10-4), with molecular formula C16H13ClN4OS and molecular weight 344.05 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of BAS 12290564
Property Insights of BAS 12290564
The XLogP value of 3.589 indicates that BAS 12290564 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12290564. Following Lipinski's Rule of Five, BAS 12290564 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 12290564?
The CAS number of BAS 12290564 is 777867-10-4.
What is the molecular formula of BAS 12290564?
The molecular formula of BAS 12290564 is C16H13ClN4OS.
What is the molecular weight of BAS 12290564?
The molecular weight of BAS 12290564 is 344.05 g/mol.
Where can I buy BAS 12290564?
You can request a quote for BAS 12290564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12290564?
Yes, KEHONG BIO provides custom synthesis services for BAS 12290564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.