BAS 11132694
TL;DR: BAS 11132694 (CAS 727403-55-6) is a chemical compound with molecular formula C21H26N4O4S and molecular weight 430.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-2-methylsulfanyl-9-(3,4,5-trimethoxyphenyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 11132694, 6,6-dimethyl-2-(methylsulfanyl)-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 6,6-dimethyl-2-(methylsulfanyl)-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 6,6-dimethyl-2-(methylthio)-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 6,6-dimethyl-2-methylsulfanyl-9-(3,4,5-trimethoxyphenyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C21H26N4O4S |
|---|---|
| Molecular Weight | 430.17 g/mol |
| LogP | 3.6839 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.16748 |
| Heavy Atoms | 30 |
| Complexity | 1018.6176 |
Chemical Identifiers
| CAS Number | 727403-55-6 |
|---|---|
| SMILES | CC1(CC2=C(C(N3C(=NC(=N3)SC)N2)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C1)C |
Product Overview
BAS 11132694 (CAS 727403-55-6), with molecular formula C21H26N4O4S and molecular weight 430.17 g/mol. IUPAC: 6,6-dimethyl-2-methylsulfanyl-9-(3,4,5-trimethoxyphenyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of BAS 11132694
Property Insights of BAS 11132694
The XLogP value of 3.6839 indicates that BAS 11132694 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11132694. Following Lipinski's Rule of Five, BAS 11132694 has 1 hydrogen bond donor(s) and 8 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 11132694?
The CAS number of BAS 11132694 is 727403-55-6.
What is the molecular formula of BAS 11132694?
The molecular formula of BAS 11132694 is C21H26N4O4S.
What is the molecular weight of BAS 11132694?
The molecular weight of BAS 11132694 is 430.17 g/mol.
Where can I buy BAS 11132694?
You can request a quote for BAS 11132694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11132694?
Yes, KEHONG BIO provides custom synthesis services for BAS 11132694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.