7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin
TL;DR: 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin (CAS 77222-65-2) is a chemical compound with molecular formula C34H36N4O5 and molecular weight 580.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[18-(2-carboxyethyl)-13-ethenyl-8-(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
Also Known As: Deuteroporphyrin IX 2,4 (4,2) hydroxyethyl vinyl, 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin, Deuteroporphyrin IX, 2-hydroxyethyl-4-vinyl, 3-[18-(2-carboxyethyl)-13-ethenyl-8-(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid, Deuteroporphyrin ix 2,4(4,2)hydroxyethyl vinyl
| Molecular Formula | C34H36N4O5 |
|---|---|
| Molecular Weight | 580.27 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 580.26855 |
| Heavy Atoms | 43 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 77222-65-2 |
|---|---|
| SMILES | CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C |
| InChIKey | YFPRKBHRSWJRBU-UHFFFAOYSA-N |
Product Overview
7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin (CAS 77222-65-2), with molecular formula C34H36N4O5 and molecular weight 580.27 g/mol. IUPAC: 3-[18-(2-carboxyethyl)-13-ethenyl-8-(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid.
Chemical Property Profile of 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin
Property Insights of 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin
The XLogP value of 3.4 indicates that 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin 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 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin?
The CAS number of 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin is 77222-65-2.
What is the molecular formula of 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin?
The molecular formula of 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin is C34H36N4O5.
What is the molecular weight of 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin?
The molecular weight of 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin is 580.27 g/mol.
Where can I buy 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin?
You can request a quote for 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin?
Yes, KEHONG BIO provides custom synthesis services for 7-Des(1-hydroxyethyl)-7-ethenyl hematoporphyrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.