BAS 11132549
TL;DR: BAS 11132549 (CAS 536981-14-3) is a chemical compound with molecular formula C20H18N4OS2 and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 11132549, 2-(benzylsulfanyl)-9-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-(benzylsulfanyl)-9-(2-thienyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-(benzylsulfanyl)-9-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 2-(benzylthio)-9-(thiophen-2-yl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
| Molecular Formula | C20H18N4OS2 |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.0922 |
| Heavy Atoms | 27 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 536981-14-3 |
|---|---|
| SMILES | C1CC2=C(C(N3C(=NC(=N3)SCC4=CC=CC=C4)N2)C5=CC=CS5)C(=O)C1 |
| InChIKey | ZIFVMSBHZOFWCN-UHFFFAOYSA-N |
Product Overview
BAS 11132549 (CAS 536981-14-3), with molecular formula C20H18N4OS2 and molecular weight 394.09 g/mol. IUPAC: 2-benzylsulfanyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of BAS 11132549
Property Insights of BAS 11132549
The XLogP value of 4.0 indicates that BAS 11132549 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11132549. Following Lipinski's Rule of Five, BAS 11132549 has 1 hydrogen bond donor(s) and 6 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 11132549?
The CAS number of BAS 11132549 is 536981-14-3.
What is the molecular formula of BAS 11132549?
The molecular formula of BAS 11132549 is C20H18N4OS2.
What is the molecular weight of BAS 11132549?
The molecular weight of BAS 11132549 is 394.09 g/mol.
Where can I buy BAS 11132549?
You can request a quote for BAS 11132549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11132549?
Yes, KEHONG BIO provides custom synthesis services for BAS 11132549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.