TL;DR: Mtp 3115 (CAS 133513-11-8) is a chemical compound with molecular formula C17H27N5O2S and molecular weight 365.18854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-ethylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5,5-dioxide
Also Known As: MTP 3115, 6H-Thiopyrano(3,2-d)pyrimidine, 2-(4-ethyl-1-piperazinyl)-7,8-dihydro-4-(1-pyrrolidinyl)-, 5,5-dioxide, 2-(4-ethylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-t, 2-(4-ethylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5,5-dioxide, 2-(4-ETHYL-(PIPERAZIN-1-YL))-7,8-DIHYDRO-4-(PYRROLIDIN-1-YL)-6H-THIOPYRANO[3,2-D]PYRIMIDINE 5,5-DIOXIDE
| Molecular Formula | C17H27N5O2S |
| Molecular Weight | 365.18854 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 78.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.18854 Da |
| Heavy Atoms | 25 |
| Complexity | 552.0 |
| SMILES | CCN1CCN(CC1)C2=NC3=C(C(=N2)N4CCCC4)S(=O)(=O)CCC3 |
| InChIKey | JYIJXJBPHXJNPX-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mtp 3115. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mtp 3115. Following Lipinski's Rule of Five, Mtp 3115 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 Mtp 3115 is 133513-11-8.
The molecular formula of Mtp 3115 is C17H27N5O2S.
The molecular weight of Mtp 3115 is 365.18854 g/mol.
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