4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl-
TL;DR: 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl- (CAS 132418-51-0) is a chemical compound with molecular formula C33H37ClN6S2 and molecular weight 616.22095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-(2-chlorophenyl)-N-(2,4-ditert-butylphenyl)-3-methyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide
Also Known As: 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl-, 6-(2-Chlorophenyl)-N-(2,4-di-tert-butylphenyl)-1-methyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-9(8H)-carbothioamide
Technical Specifications
| Molecular Formula | C33H37ClN6S2 |
| Molecular Weight | 616.22095 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 616.22095 Da |
| Heavy Atoms | 42 |
| Complexity | 1020.0 |
| SMILES | CC1=NN=C2N1C3=C(C4=C(S3)CN(CC4)C(=S)NC5=C(C=C(C=C5)C(C)(C)C)C(C)(C)C)C(=NC2)C6=CC=CC=C6Cl |
| InChIKey | MTSLJHGZRSKCIR-UHFFFAOYSA-N |
Chemical Property Profile of 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl-
Property Insights of 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl-
The XLogP value of 7.9 indicates that 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl-. Following Lipinski's Rule of Five, 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl-?
The CAS number of 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl- is 132418-51-0.
What is the molecular formula of 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl-?
The molecular formula of 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl- is C33H37ClN6S2.
What is the molecular weight of 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl-?
The molecular weight of 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl- is 616.22095 g/mol.
Where can I buy 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl-?
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Does CoreyChem offer custom synthesis for 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl-?
Yes, CoreyChem provides custom synthesis services for 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-N-(2,4-bis(1,1-dimethylethyl)phenyl)-6-(2-chlorophenyl)-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.