TL;DR: PMS 601 (CAS 158978-98-4) is a chemical compound with molecular formula C30H41N3O10 and molecular weight 603.2792 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N,N-diethylcarbamate
Also Known As: PMS 601, PMS601, J1.371.045G, [1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N,N-diethylcarbamate, Carbamic acid, N,N-diethyl-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C30H41N3O10 |
| Molecular Weight | 603.2792 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 603.2792 Da |
| Heavy Atoms | 43 |
| Complexity | 877.0 |
| SMILES | CCN(CC)C(=O)OCC1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC |
| InChIKey | QKSXEJNMSRTCRE-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PMS 601. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for PMS 601. Following Lipinski's Rule of Five, PMS 601 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of PMS 601 is 158978-98-4.
The molecular formula of PMS 601 is C30H41N3O10.
The molecular weight of PMS 601 is 603.2792 g/mol.
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