TL;DR: H 87 (vasodilator) (CAS 130964-43-1) is a chemical compound with molecular formula C20H20ClN3O2S and molecular weight 401.09647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
Also Known As: H 87 (vasodilator), H 87, H-86, H-87, 5-Isoquinolinesulfonamide, N-(2-((3-(4-chlorophenyl)-1-methyl-2-propenyl)amino)ethyl)-
| Molecular Formula | C20H20ClN3O2S |
| Molecular Weight | 401.09647 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 79.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.09647 Da |
| Heavy Atoms | 27 |
| Complexity | 570.0 |
| SMILES | C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNC/C=C/C3=CC=C(C=C3)Cl |
| InChIKey | QPBVZAIIDPNCAY-NSCUHMNNSA-N |
The XLogP value of 3.4 indicates that H 87 (vasodilator) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for H 87 (vasodilator). Following Lipinski's Rule of Five, H 87 (vasodilator) has 2 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 H 87 (vasodilator) is 130964-43-1.
The molecular formula of H 87 (vasodilator) is C20H20ClN3O2S.
The molecular weight of H 87 (vasodilator) is 401.09647 g/mol.
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