BAS 12534604
TL;DR: BAS 12534604 (CAS 876668-18-7) is a chemical compound with molecular formula C21H20N4O3 and molecular weight 376.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(furan-2-yl)-9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 12534604, 6-(furan-2-yl)-9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 6-(2-furyl)-9-(4-methoxyphenyl)-2-methyl-4,5,6,7,9,10-hexahydro-1,2,4-triazolo [5,1-b]quinazolin-8-one, 6-(FURAN-2-YL)-9-(4-METHOXYPHENYL)-2-METHYL-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE, 6-(furan-2-yl)-9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
| Molecular Formula | C21H20N4O3 |
|---|---|
| Molecular Weight | 376.15 g/mol |
| LogP | 3.60382 |
| Topological Polar Surface Area | 82.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.15353 |
| Heavy Atoms | 28 |
| Complexity | 1063.7782 |
Chemical Identifiers
| CAS Number | 876668-18-7 |
|---|---|
| SMILES | CC1=NN2C(C3=C(CC(CC3=O)C4=CC=CO4)NC2=N1)C5=CC=C(C=C5)OC |
Product Overview
BAS 12534604 (CAS 876668-18-7), with molecular formula C21H20N4O3 and molecular weight 376.15 g/mol. IUPAC: 6-(furan-2-yl)-9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of BAS 12534604
Property Insights of BAS 12534604
The XLogP value of 3.60382 indicates that BAS 12534604 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12534604. Following Lipinski's Rule of Five, BAS 12534604 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 12534604?
The CAS number of BAS 12534604 is 876668-18-7.
What is the molecular formula of BAS 12534604?
The molecular formula of BAS 12534604 is C21H20N4O3.
What is the molecular weight of BAS 12534604?
The molecular weight of BAS 12534604 is 376.15 g/mol.
Where can I buy BAS 12534604?
You can request a quote for BAS 12534604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12534604?
Yes, KEHONG BIO provides custom synthesis services for BAS 12534604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.