BAS 11132688
TL;DR: BAS 11132688 (CAS 727403-52-3) is a chemical compound with molecular formula C20H24N4O3S and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-ethoxy-4-hydroxyphenyl)-6,6-dimethyl-2-methylsulfanyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 11132688, 9-(3-ethoxy-4-hydroxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(3-ETHOXY-4-HYDROXYPHENYL)-6,6-DIMETHYL-2-(METHYLSULFANYL)-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE, 9-(3-ethoxy-4-hydroxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 9-(3-ethoxy-4-hydroxyphenyl)-6,6-dimethyl-2-(methylthio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
| Molecular Formula | C20H24N4O3S |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | 3.7624 |
| Topological Polar Surface Area | 89.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.15692 |
| Heavy Atoms | 28 |
| Complexity | 979.82556 |
Chemical Identifiers
| CAS Number | 727403-52-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=NC(=NN24)SC)O |
Product Overview
BAS 11132688 (CAS 727403-52-3), with molecular formula C20H24N4O3S and molecular weight 400.16 g/mol. IUPAC: 9-(3-ethoxy-4-hydroxyphenyl)-6,6-dimethyl-2-methylsulfanyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of BAS 11132688
Property Insights of BAS 11132688
The XLogP value of 3.7624 indicates that BAS 11132688 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11132688. Following Lipinski's Rule of Five, BAS 11132688 has 2 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 11132688?
The CAS number of BAS 11132688 is 727403-52-3.
What is the molecular formula of BAS 11132688?
The molecular formula of BAS 11132688 is C20H24N4O3S.
What is the molecular weight of BAS 11132688?
The molecular weight of BAS 11132688 is 400.16 g/mol.
Where can I buy BAS 11132688?
You can request a quote for BAS 11132688 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11132688?
Yes, KEHONG BIO provides custom synthesis services for BAS 11132688 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.