BAS 11131985
TL;DR: BAS 11131985 (CAS 537003-58-0) is a chemical compound with molecular formula C16H18N4OS and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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 11131985, 6,6-dimethyl-9-(3-methylthiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 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, 6,6-dimethyl-9-(3-methylthiophen-2-yl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 6,6-dimethyl-9-(3-methylthiophen-2-yl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
| Molecular Formula | C16H18N4OS |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 3.30612 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.12012 |
| Heavy Atoms | 22 |
| Complexity | 798.68274 |
Chemical Identifiers
| CAS Number | 537003-58-0 |
|---|---|
| SMILES | CC1=C(SC=C1)C2C3=C(CC(CC3=O)(C)C)NC4=NC=NN24 |
Product Overview
BAS 11131985 (CAS 537003-58-0), with molecular formula C16H18N4OS and molecular weight 314.12 g/mol. IUPAC: 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 11131985
Property Insights of BAS 11131985
The XLogP value of 3.30612 indicates that BAS 11131985 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 11131985 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11131985 has 1 hydrogen bond donor(s) and 5 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 11131985?
The CAS number of BAS 11131985 is 537003-58-0.
What is the molecular formula of BAS 11131985?
The molecular formula of BAS 11131985 is C16H18N4OS.
What is the molecular weight of BAS 11131985?
The molecular weight of BAS 11131985 is 314.12 g/mol.
Where can I buy BAS 11131985?
You can request a quote for BAS 11131985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11131985?
Yes, KEHONG BIO provides custom synthesis services for BAS 11131985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.