Upamostat
TL;DR: Upamostat (CAS 1191101-18-4) is a chemical compound with molecular formula C32H47N5O6S and molecular weight 629.3247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[(2S)-3-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carboxylate
Also Known As: Upamostat, Mesupron, upamostatum, Upamostat [INN], UPAMOSTAT [WHO-DD]
Technical Specifications
| Molecular Formula | C32H47N5O6S |
| Molecular Weight | 629.3247 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 629.3247 Da |
| Heavy Atoms | 44 |
| Complexity | 1070.0 |
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC(=CC=C2)/C(=N\O)/N)NS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C |
| InChIKey | HUASEDVYRABWCV-NDEPHWFRSA-N |
Chemical Property Profile of Upamostat
Property Insights of Upamostat
The XLogP value of 5.0 indicates that Upamostat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting Upamostat may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Upamostat has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Upamostat?
The CAS number of Upamostat is 1191101-18-4.
What is the molecular formula of Upamostat?
The molecular formula of Upamostat is C32H47N5O6S.
What is the molecular weight of Upamostat?
The molecular weight of Upamostat is 629.3247 g/mol.
Where can I buy Upamostat?
You can request a quote for Upamostat directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Upamostat?
Yes, CoreyChem provides custom synthesis services for Upamostat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.