BAS 11132550
TL;DR: BAS 11132550 (CAS 727402-48-4) is a chemical compound with molecular formula C21H20N4OS2 and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-9-(3-methylthiophen-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 11132550, 2-(benzylsulfanyl)-9-(3-methylthiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-(BENZYLSULFANYL)-9-(3-METHYLTHIOPHEN-2-YL)-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE, 2-(benzylsulfanyl)-9-(3-methylthiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 2-(benzylthio)-9-(3-methylthiophen-2-yl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
| Molecular Formula | C21H20N4OS2 |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 4.96232 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.10785 |
| Heavy Atoms | 28 |
| Complexity | 1067.2784 |
Chemical Identifiers
| CAS Number | 727402-48-4 |
|---|---|
| SMILES | CC1=C(SC=C1)C2C3=C(CCCC3=O)NC4=NC(=NN24)SCC5=CC=CC=C5 |
Product Overview
BAS 11132550 (CAS 727402-48-4), with molecular formula C21H20N4OS2 and molecular weight 408.11 g/mol. IUPAC: 2-benzylsulfanyl-9-(3-methylthiophen-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of BAS 11132550
Property Insights of BAS 11132550
The XLogP value of 4.96232 indicates that BAS 11132550 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 11132550 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11132550 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 11132550?
The CAS number of BAS 11132550 is 727402-48-4.
What is the molecular formula of BAS 11132550?
The molecular formula of BAS 11132550 is C21H20N4OS2.
What is the molecular weight of BAS 11132550?
The molecular weight of BAS 11132550 is 408.11 g/mol.
Where can I buy BAS 11132550?
You can request a quote for BAS 11132550 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11132550?
Yes, KEHONG BIO provides custom synthesis services for BAS 11132550 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.