BAS 11132758
TL;DR: BAS 11132758 (CAS 727404-17-3) is a chemical compound with molecular formula C18H22N4OS2 and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-6,6-dimethyl-9-(3-methylthiophen-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 11132758, 2-(ethylsulfanyl)-6,6-dimethyl-9-(3-methylthiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 2-(ethylthio)-6,6-dimethyl-9-(3-methylthiophen-2-yl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-ethylsulfanyl-6,6-dimethyl-9-(3-methylthiophen-2-yl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 2-ethylthio-6,6-dimethyl-9-(3-methyl(2-thienyl))-4,5,6,7,9,10-hexahydro-1,2,4- triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C18H22N4OS2 |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | 4.41812 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.1235 |
| Heavy Atoms | 25 |
| Complexity | 877.52313 |
Chemical Identifiers
| CAS Number | 727404-17-3 |
|---|---|
| SMILES | CCSC1=NN2C(C3=C(CC(CC3=O)(C)C)NC2=N1)C4=C(C=CS4)C |
Product Overview
BAS 11132758 (CAS 727404-17-3), with molecular formula C18H22N4OS2 and molecular weight 374.12 g/mol. IUPAC: 2-ethylsulfanyl-6,6-dimethyl-9-(3-methylthiophen-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of BAS 11132758
Property Insights of BAS 11132758
The XLogP value of 4.41812 indicates that BAS 11132758 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 11132758 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11132758 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 11132758?
The CAS number of BAS 11132758 is 727404-17-3.
What is the molecular formula of BAS 11132758?
The molecular formula of BAS 11132758 is C18H22N4OS2.
What is the molecular weight of BAS 11132758?
The molecular weight of BAS 11132758 is 374.12 g/mol.
Where can I buy BAS 11132758?
You can request a quote for BAS 11132758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11132758?
Yes, KEHONG BIO provides custom synthesis services for BAS 11132758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.