BAS 12534528
TL;DR: BAS 12534528 (CAS 876668-06-3) is a chemical compound with molecular formula C16H14N4O4S and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[6-(furan-2-yl)-8-oxo-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl]acetate
Also Known As: BAS 12534528, methyl {[6-(furan-2-yl)-8-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate, methyl 2-((6-(furan-2-yl)-8-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-2-yl)thio)acetate, methyl 2-(6-(2-furyl)-8-oxo-5,6,7,10-tetrahydro-1,2,4-triazolo[5,1-b]quinazoli n-2-ylthio)acetate, methyl 2-[[6-(furan-2-yl)-8-oxo-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl]acetate
| Molecular Formula | C16H14N4O4S |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 1.8951 |
| Topological Polar Surface Area | 99.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.07358 |
| Heavy Atoms | 25 |
| Complexity | 950.60956 |
Chemical Identifiers
| CAS Number | 876668-06-3 |
|---|---|
| SMILES | COC(=O)CSC1=NN2C=C3C(=NC2=N1)CC(CC3=O)C4=CC=CO4 |
Product Overview
BAS 12534528 (CAS 876668-06-3), with molecular formula C16H14N4O4S and molecular weight 358.07 g/mol. IUPAC: methyl 2-[[6-(furan-2-yl)-8-oxo-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl]acetate.
Chemical Property Profile of BAS 12534528
Property Insights of BAS 12534528
The XLogP value of 1.8951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12534528. The TPSA of 99.59 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12534528. Following Lipinski's Rule of Five, BAS 12534528 has 0 hydrogen bond donor(s) and 8 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 12534528?
The CAS number of BAS 12534528 is 876668-06-3.
What is the molecular formula of BAS 12534528?
The molecular formula of BAS 12534528 is C16H14N4O4S.
What is the molecular weight of BAS 12534528?
The molecular weight of BAS 12534528 is 358.07 g/mol.
Where can I buy BAS 12534528?
You can request a quote for BAS 12534528 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12534528?
Yes, KEHONG BIO provides custom synthesis services for BAS 12534528 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.