BAS 11132690
TL;DR: BAS 11132690 (CAS 727403-54-5) 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-(3,4-dimethoxyphenyl)-6,6-dimethyl-2-methylsulfanyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 11132690, 9-(3,4-dimethoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(3,4-DIMETHOXYPHENYL)-6,6-DIMETHYL-2-(METHYLSULFANYL)-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE, 9-(3,4-dimethoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 9-(3,4-dimethoxyphenyl)-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 | 3.6753 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.15692 |
| Heavy Atoms | 28 |
| Complexity | 979.82556 |
Chemical Identifiers
| CAS Number | 727403-54-5 |
|---|---|
| SMILES | CC1(CC2=C(C(N3C(=NC(=N3)SC)N2)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C |
Product Overview
BAS 11132690 (CAS 727403-54-5), with molecular formula C20H24N4O3S and molecular weight 400.16 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-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 11132690
Property Insights of BAS 11132690
The XLogP value of 3.6753 indicates that BAS 11132690 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 11132690. Following Lipinski's Rule of Five, BAS 11132690 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 11132690?
The CAS number of BAS 11132690 is 727403-54-5.
What is the molecular formula of BAS 11132690?
The molecular formula of BAS 11132690 is C20H24N4O3S.
What is the molecular weight of BAS 11132690?
The molecular weight of BAS 11132690 is 400.16 g/mol.
Where can I buy BAS 11132690?
You can request a quote for BAS 11132690 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11132690?
Yes, KEHONG BIO provides custom synthesis services for BAS 11132690 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.