BAS 12290589
TL;DR: BAS 12290589 (CAS 777867-35-3) is a chemical compound with molecular formula C18H16N4O3S and molecular weight 368.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(8-oxo-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)sulfanyl]acetate
Also Known As: BAS 12290589, methyl [(8-oxo-6-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl)thio]acetate, methyl [(8-oxo-6-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl)sulfanyl]acetate, methyl 2-((8-oxo-6-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)thio)acetate, METHYL 2-({8-OXO-6-PHENYL-5H,6H,7H,8H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-2-YL}SULFANYL)ACETATE
| Molecular Formula | C18H16N4O3S |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 2.3021 |
| Topological Polar Surface Area | 86.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.0943 |
| Heavy Atoms | 26 |
| Complexity | 986.76984 |
Chemical Identifiers
| CAS Number | 777867-35-3 |
|---|---|
| SMILES | COC(=O)CSC1=NN2C=C3C(=NC2=N1)CC(CC3=O)C4=CC=CC=C4 |
Product Overview
BAS 12290589 (CAS 777867-35-3), with molecular formula C18H16N4O3S and molecular weight 368.09 g/mol. IUPAC: methyl 2-[(8-oxo-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)sulfanyl]acetate.
Chemical Property Profile of BAS 12290589
Property Insights of BAS 12290589
The XLogP value of 2.3021 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12290589. The TPSA of 86.45 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12290589. Following Lipinski's Rule of Five, BAS 12290589 has 0 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 12290589?
The CAS number of BAS 12290589 is 777867-35-3.
What is the molecular formula of BAS 12290589?
The molecular formula of BAS 12290589 is C18H16N4O3S.
What is the molecular weight of BAS 12290589?
The molecular weight of BAS 12290589 is 368.09 g/mol.
Where can I buy BAS 12290589?
You can request a quote for BAS 12290589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12290589?
Yes, KEHONG BIO provides custom synthesis services for BAS 12290589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.