TL;DR: Buflomedil pyridoxal phosphate (CAS 104018-19-1) is a chemical compound with molecular formula C25H35N2O10P and molecular weight 554.20294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate;4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one
Also Known As: buflomedil pyridoxal phosphate, KST-1A0613, (4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one, 018B077, 2,4,6-trimethoxyphenyl-3-pyrrolidine propyl ketone
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C25H35N2O10P |
| Molecular Weight | 554.20294 g/mol |
| XLogP | 3.28852 |
| Topological Polar Surface Area (TPSA) | 165.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 554.20294 Da |
| Heavy Atoms | 38 |
| Complexity | 622.0 |
| SMILES | CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O.COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC |
| InChIKey | PFDMMTLRXJOJAK-UHFFFAOYSA-N |
The XLogP value of 3.28852 indicates that Buflomedil pyridoxal phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.0 Ų indicates high polarity, suggesting Buflomedil pyridoxal phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Buflomedil pyridoxal phosphate has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Buflomedil pyridoxal phosphate is 104018-19-1.
The molecular formula of Buflomedil pyridoxal phosphate is C25H35N2O10P.
The molecular weight of Buflomedil pyridoxal phosphate is 554.20294 g/mol.
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