TL;DR: Morpholine, 4-(3-(4-(2-chlorophenyl)-9-propoxy-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)- (CAS 133714-99-5) is a chemical compound with molecular formula C24H26ClN5O3S and molecular weight 499.1445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[7-(2-chlorophenyl)-13-propoxy-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one
Also Known As: Morpholine, 4-(3-(4-(2-chlorophenyl)-9-propoxy-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-, 3-[4-(2-Chlorophenyl)-9-propoxy-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(morpholin-4-yl)propan-1-one, Morpholine,4-(3-(4-(2-chlorophenyl)-9-propoxy-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)
| Molecular Formula | C24H26ClN5O3S |
| Molecular Weight | 499.1445 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.1445 Da |
| Heavy Atoms | 34 |
| Complexity | 739.0 |
| SMILES | CCCOC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(=NC2)C5=CC=CC=C5Cl |
| InChIKey | RBSRFYOUWWBUFO-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that Morpholine, 4-(3-(4-(2-chlorophenyl)-9-propoxy-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Morpholine, 4-(3-(4-(2-chlorophenyl)-9-propoxy-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-. Following Lipinski's Rule of Five, Morpholine, 4-(3-(4-(2-chlorophenyl)-9-propoxy-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Morpholine, 4-(3-(4-(2-chlorophenyl)-9-propoxy-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)- is 133714-99-5.
The molecular formula of Morpholine, 4-(3-(4-(2-chlorophenyl)-9-propoxy-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)- is C24H26ClN5O3S.
The molecular weight of Morpholine, 4-(3-(4-(2-chlorophenyl)-9-propoxy-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)- is 499.1445 g/mol.
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