BAS 11132354
TL;DR: BAS 11132354 (CAS 727394-80-1) is a chemical compound with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 11132354, 9-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(3,4-dimethoxyphenyl)-6-(2-thienyl)-4,5,6,7,9,10-hexahydro-1,2,4-triazolo[5, 1-b]quinazolin-8-one, 9-(3,4-dimethoxyphenyl)-6-(2-thienyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
| Molecular Formula | C21H20N4O3S |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 3.7725 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.1256 |
| Heavy Atoms | 29 |
| Complexity | 1103.0914 |
Chemical Identifiers
| CAS Number | 727394-80-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=NC=NN25)OC |
Product Overview
BAS 11132354 (CAS 727394-80-1), with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of BAS 11132354
Property Insights of BAS 11132354
The XLogP value of 3.7725 indicates that BAS 11132354 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11132354. Following Lipinski's Rule of Five, BAS 11132354 has 1 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 11132354?
The CAS number of BAS 11132354 is 727394-80-1.
What is the molecular formula of BAS 11132354?
The molecular formula of BAS 11132354 is C21H20N4O3S.
What is the molecular weight of BAS 11132354?
The molecular weight of BAS 11132354 is 408.13 g/mol.
Where can I buy BAS 11132354?
You can request a quote for BAS 11132354 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11132354?
Yes, KEHONG BIO provides custom synthesis services for BAS 11132354 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.