TL;DR: Mtp 3631 (CAS 139086-70-7) is a chemical compound with molecular formula C16H24N5O4S- and molecular weight 382.1549 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-hydroxypiperidin-1-yl)-2-piperazin-1-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine-6-sulfinate
Also Known As: Mtp 3631, 4-(3-hydroxypiperidin-1-yl)-2-piperazin-1-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine-6-sulfinate, 3-Piperidinol, 1-(7,8-dihydro-2-(1-piperazinyl)-6H-thiopyrano(3,2-d)pyrimidin-4-yl)-, S,S-dioxide, 7,8-Dihydro-4-(3-hydroxypiperidinyl)-2-piperazinyl-6H-thiopyrano(3,2-d)pyrimidine-5,5-dioxide, 4-(3-Hydroxypiperidin-1-yl)-2-(piperazin-1-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine-6-sulfinate
| Molecular Formula | C16H24N5O4S- |
| Molecular Weight | 382.1549 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.1549 Da |
| Heavy Atoms | 26 |
| Complexity | 504.0 |
| SMILES | C1CC(CN(C1)C2=NC(=NC3=C2OC(CC3)S(=O)[O-])N4CCNCC4)O |
| InChIKey | WYFVWDDMEMOMAG-UHFFFAOYSA-M |
The XLogP value of -0.5 indicates that Mtp 3631 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mtp 3631. Following Lipinski's Rule of Five, Mtp 3631 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Mtp 3631 is 139086-70-7.
The molecular formula of Mtp 3631 is C16H24N5O4S-.
The molecular weight of Mtp 3631 is 382.1549 g/mol.
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