TL;DR: 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17,21-pentamethyl- (CAS 152020-03-6) is a chemical compound with molecular formula C35H40N4O4 and molecular weight 580.30493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17,21-pentamethyl-23H-porphyrin-2-yl]propanoic acid
Also Known As: N-Methylmesoporphyrin IX, N-MeMP, 23-Methylmesoporphyrin, N-METHYLMESOPORPHYRIN, 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17,21-pentamethyl-
| Molecular Formula | C35H40N4O4 |
| Molecular Weight | 580.30493 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 580.30493 Da |
| Heavy Atoms | 43 |
| Complexity | 979.0 |
| SMILES | CCC1=C(C2=CC3=NC(=CC4=C(C(=C(N4C)C=C5C(=C(C(=N5)C=C1N2)C)CC)C)CCC(=O)O)C(=C3C)CCC(=O)O)C |
| InChIKey | CDCQNAISRYFNPX-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17,21-pentamethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17,21-pentamethyl-. Following Lipinski's Rule of Five, 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17,21-pentamethyl- has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17,21-pentamethyl- is 152020-03-6.
The molecular formula of 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17,21-pentamethyl- is C35H40N4O4.
The molecular weight of 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17,21-pentamethyl- is 580.30493 g/mol.
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