TL;DR: chlorophyllin (CAS 15611-43-5) is a chemical compound with molecular formula C34H34MgN4O6 and molecular weight 618.23285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
magnesium [18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-18,24-dihydro-17H-porphyrin-2-ylidene]methanediolate
Also Known As: chlorophyllin, Chlorophyllin A, Magnesate(3-), ((7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-kappa,N21,kappaN22,kappaN23,kappaN24)-, trihydrogen, (SP-4-2)-, Magnesate(3-), [18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-21H,23H-porphine-2-propanoato(5-)-N21,N22,N23,N24]-, trihydrogen, [SP-4-2-(2S-trans)]-, magnesium (1Z,4Z,9Z,15Z)-18-(2-carboxyethyl)-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-12-vinyl-17,18,21,23-tetrahydroporphyrin-2-carboxylic acid
| Molecular Formula | C34H34MgN4O6 |
| Molecular Weight | 618.23285 g/mol |
| XLogP | 3.519 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 618.23285 Da |
| Heavy Atoms | 45 |
| Complexity | 1760.0 |
| SMILES | CCC1=C(C2=NC1=CC3=C(C(=C([O-])[O-])C(=N3)C(=C4C(C(C(=CC5=NC(=C2)C(=C5C)C=C)N4)C)CCC(=O)O)CC(=O)O)C)C.[Mg+2] |
| InChIKey | QPYMQOHKRAYLDL-UHFFFAOYSA-L |
The XLogP value of 3.519 indicates that chlorophyllin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting chlorophyllin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, chlorophyllin has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of chlorophyllin is 15611-43-5.
The molecular formula of chlorophyllin is C34H34MgN4O6.
The molecular weight of chlorophyllin is 618.23285 g/mol.
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