![11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one structure](/static/products/6851/685107-13-5.webp)
11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one
TL;DR: 11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one (CAS 685107-13-5) is a chemical compound with molecular formula C23H20N4O3S and molecular weight 432.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18,19-dimethoxy-7-thiophen-3-yl-4,5,9,13-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-3(11),5,7,9,16,18,20-heptaen-12-one
Also Known As: 11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one, 18,19-dimethoxy-7-(thiophen-3-yl)-4,5,9,13-tetraazapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{16,21}]henicosa-3(11),5,7,9,16(21),17,19-heptaen-12-one, 18,19-dimethoxy-7-thiophen-3-yl-4,5,9,13-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-3(11),5,7,9,16,18,20-heptaen-12-one
| Molecular Formula | C23H20N4O3S |
|---|---|
| Molecular Weight | 432.13 g/mol |
| LogP | 3.7707 |
| Topological Polar Surface Area | 68.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.1256 |
| Heavy Atoms | 31 |
| Complexity | 1328.5986 |
Chemical Identifiers
| CAS Number | 685107-13-5 |
|---|---|
| SMILES | COC1=C(C=C2C3CC4=C(C=NC5=C(C=NN45)C6=CSC=C6)C(=O)N3CCC2=C1)OC |
Product Overview
11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one (CAS 685107-13-5), with molecular formula C23H20N4O3S and molecular weight 432.13 g/mol. IUPAC: 18,19-dimethoxy-7-thiophen-3-yl-4,5,9,13-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-3(11),5,7,9,16,18,20-heptaen-12-one.
Chemical Property Profile of 11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one
Property Insights of 11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one
The XLogP value of 3.7707 indicates that 11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one. Following Lipinski's Rule of Five, 11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one has 0 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 11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one?
The CAS number of 11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one is 685107-13-5.
What is the molecular formula of 11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one?
The molecular formula of 11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one is C23H20N4O3S.
What is the molecular weight of 11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one?
The molecular weight of 11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one is 432.13 g/mol.
Where can I buy 11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one?
You can request a quote for 11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 11,12-dimethoxy-3-(3-thienyl)-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.