Chlorin e6 ethylenediamide
TL;DR: Chlorin e6 ethylenediamide (CAS 114849-41-1) is a chemical compound with molecular formula C37H44N6O5 and molecular weight 652.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C37H44N6O5 |
|---|---|
| Molecular Weight | 652.34 g/mol |
| LogP | 5.61024 |
| Topological Polar Surface Area | 176.08 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 652.33734 |
| Heavy Atoms | 48 |
| Complexity | 2017.6292 |
Chemical Identifiers
| CAS Number | 114849-41-1 |
|---|---|
| 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 |
Product Overview
Chlorin e6 ethylenediamide (CAS 114849-41-1), with molecular formula C37H44N6O5 and molecular weight 652.34 g/mol. IUPAC: 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.
Chemical Property Profile of Chlorin e6 ethylenediamide
Property Insights of Chlorin e6 ethylenediamide
The XLogP value of 5.61024 indicates that Chlorin e6 ethylenediamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.08 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 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 652.34 g/mol.
Where can I buy Chlorin e6 ethylenediamide?
You can request a quote for Chlorin e6 ethylenediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorin e6 ethylenediamide?
Yes, KEHONG BIO provides custom synthesis services for Chlorin e6 ethylenediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.