BAS 11132611
TL;DR: BAS 11132611 (CAS 727402-85-9) is a chemical compound with molecular formula C18H17FN4OS and molecular weight 356.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-fluorophenyl)-2-prop-2-enylsulfanyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 11132611, 9-(4-fluorophenyl)-2-(prop-2-en-1-ylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-(ALLYLSULFANYL)-9-(4-FLUOROPHENYL)-5,6,7,9-TETRAHYDRO[1,2,4]TRIAZOLO[5,1-B]QUINAZOLIN-8(4H)-ONE, 2-(allylthio)-9-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(4-fluorophenyl)-2-(prop-2-en-1-ylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
| Molecular Formula | C18H17FN4OS |
|---|---|
| Molecular Weight | 356.11 g/mol |
| LogP | 3.7173 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.11072 |
| Heavy Atoms | 25 |
| Complexity | 871.7013 |
Chemical Identifiers
| CAS Number | 727402-85-9 |
|---|---|
| SMILES | C=CCSC1=NN2C(C3=C(CCCC3=O)NC2=N1)C4=CC=C(C=C4)F |
Product Overview
BAS 11132611 (CAS 727402-85-9), with molecular formula C18H17FN4OS and molecular weight 356.11 g/mol. IUPAC: 9-(4-fluorophenyl)-2-prop-2-enylsulfanyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of BAS 11132611
Property Insights of BAS 11132611
The XLogP value of 3.7173 indicates that BAS 11132611 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, BAS 11132611 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11132611 has 1 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 11132611?
The CAS number of BAS 11132611 is 727402-85-9.
What is the molecular formula of BAS 11132611?
The molecular formula of BAS 11132611 is C18H17FN4OS.
What is the molecular weight of BAS 11132611?
The molecular weight of BAS 11132611 is 356.11 g/mol.
Where can I buy BAS 11132611?
You can request a quote for BAS 11132611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11132611?
Yes, KEHONG BIO provides custom synthesis services for BAS 11132611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.