Chlorin e6 ethylenediamide
TL;DR: Chlorin e6 ethylenediamide (CAS 114849-41-1) is a chemical compound with molecular formula C37H44N6O5 and molecular weight 652.33734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2S,3S)-18-(2-aminoethylcarbamoyl)-8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid
Also Known As: Chlorin e6 ethylenediamide, 3-[(2S,3S)-18-(2-aminoethylcarbamoyl)-8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid, (2S-trans)-18-(((2-Aminoethyl)amino)carbonyl)-8-ethenyl-13-ethyl-2,3-dihydro-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-21H,23H-porphine-2-propanoic acid, 18-Aminoethylcarbamoyl-20-methoxycarbonylmethyl-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-21H,23H-porphine-2-propanoic acid
Technical Specifications
| Molecular Formula | C37H44N6O5 |
| Molecular Weight | 652.33734 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 652.33734 Da |
| Heavy Atoms | 48 |
| Complexity | 1160.0 |
| SMILES | CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)NCCN)CC(=O)OC)CCC(=O)O)C)C)C=C)C |
| InChIKey | DXKMNNMNVODHQH-RDPSFJRHSA-N |
Chemical Property Profile of Chlorin e6 ethylenediamide
Property Insights of Chlorin e6 ethylenediamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorin e6 ethylenediamide. The TPSA of 176.0 Ų indicates high polarity, suggesting Chlorin e6 ethylenediamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chlorin e6 ethylenediamide has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Chlorin e6 ethylenediamide?
The CAS number of Chlorin e6 ethylenediamide is 114849-41-1.
What is the molecular formula of Chlorin e6 ethylenediamide?
The molecular formula of Chlorin e6 ethylenediamide is C37H44N6O5.
What is the molecular weight of Chlorin e6 ethylenediamide?
The molecular weight of Chlorin e6 ethylenediamide is 652.33734 g/mol.
Where can I buy Chlorin e6 ethylenediamide?
You can request a quote for Chlorin e6 ethylenediamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chlorin e6 ethylenediamide?
Yes, CoreyChem provides custom synthesis services for Chlorin e6 ethylenediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.