TL;DR: GTPL498 (CAS 157066-76-7) is a chemical compound with molecular formula C36H40N4O5 and molecular weight 608.29987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (4R)-5-[3-(4,4-diphenylpiperidin-1-yl)propylcarbamoyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: GTPL498, SNAP 5089, (-)-SNAP-5089, methyl (4R)-5-[3-(4,4-diphenylpiperidin-1-yl)propylcarbamoyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, methyl (4R)-5-[3-[4,4-di(phenyl)piperidin-1-yl]propylcarbamoyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C36H40N4O5 |
| Molecular Weight | 608.29987 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 608.29987 Da |
| Heavy Atoms | 45 |
| Complexity | 1090.0 |
| SMILES | CC1=C([C@H](C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCCN3CCC(CC3)(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | FIIXCJGBCCCOQQ-MGBGTMOVSA-N |
The XLogP value of 6.1 indicates that GTPL498 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for GTPL498. Following Lipinski's Rule of Five, GTPL498 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of GTPL498 is 157066-76-7.
The molecular formula of GTPL498 is C36H40N4O5.
The molecular weight of GTPL498 is 608.29987 g/mol.
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