TL;DR: N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline (CAS 898622-04-3) is a chemical compound with molecular formula C20H21N5S and molecular weight 363.15176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-4-(14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)aniline
Also Known As: N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline, N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline
| Molecular Formula | C20H21N5S |
| Molecular Weight | 363.15176 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.15176 Da |
| Heavy Atoms | 26 |
| Complexity | 508.0 |
| SMILES | CC1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)C5=CC=C(C=C5)N(C)C |
| InChIKey | CGWYMAAWOIECFF-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline. Following Lipinski's Rule of Five, N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline is 898622-04-3.
The molecular formula of N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline is C20H21N5S.
The molecular weight of N,N-dimethyl-4-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline is 363.15176 g/mol.
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