TL;DR: Mesoporphyrin dimethyl ester (CAS 1263-63-4) is a chemical compound with molecular formula C36H42N4O4 and molecular weight 594.3206 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[8,13-diethyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
Also Known As: Mesoporphyrin ix dimethyl ester, Mesoporphyrin dimethyl ester, Mesoporphyrin IX dimethylester, mesoporphyrin dimethyl ether, Mesoporphyrin dimethyl ester (VAN)
| Molecular Formula | C36H42N4O4 |
| Molecular Weight | 594.3206 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 594.3206 Da |
| Heavy Atoms | 44 |
| Complexity | 980.0 |
| SMILES | CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)C)CC)C |
| InChIKey | CQKDGYMHYLBWTQ-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that Mesoporphyrin dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mesoporphyrin dimethyl ester. Following Lipinski's Rule of Five, Mesoporphyrin dimethyl ester has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Mesoporphyrin dimethyl ester is 1263-63-4.
The molecular formula of Mesoporphyrin dimethyl ester is C36H42N4O4.
The molecular weight of Mesoporphyrin dimethyl ester is 594.3206 g/mol.
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