TL;DR: Cerebrocrast (CAS 13908-86-6) is a chemical compound with molecular formula C26H35F2NO7 and molecular weight 511.23816 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-propoxyethyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Cerebrocrast, Ios 11212, IOS-1.1212, IOS 1.1212, SID:134224077
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C26H35F2NO7 |
| Molecular Weight | 511.23816 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 511.23816 Da |
| Heavy Atoms | 36 |
| Complexity | 736.0 |
| SMILES | CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OC(F)F)C(=O)OCCOCCC)C)C |
| InChIKey | ASCWBYZMMHUZMQ-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that Cerebrocrast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Cerebrocrast. Following Lipinski's Rule of Five, Cerebrocrast has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cerebrocrast is 13908-86-6.
The molecular formula of Cerebrocrast is C26H35F2NO7.
The molecular weight of Cerebrocrast is 511.23816 g/mol.
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