Coproporphyrin III tetraethyl ester
TL;DR: Coproporphyrin III tetraethyl ester (CAS 77934-49-7) is a chemical compound with molecular formula C44H54N4O8 and molecular weight 766.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[8,13,18-tris(3-ethoxy-3-oxopropyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate
Also Known As: Coproporphyrin III tetraethyl ester, ethyl 3-[8,13,18-tris(3-ethoxy-3-oxopropyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate, ethyl 3-[9,15,19-tris(3-ethoxy-3-oxopropyl)-5,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoate
| Molecular Formula | C44H54N4O8 |
|---|---|
| Molecular Weight | 766.39 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Exact Mass | 766.39417 |
| Heavy Atoms | 56 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 77934-49-7 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CCC(=O)OCC)C)C(=C4C)CCC(=O)OCC)C(=C3C)CCC(=O)OCC)C |
| InChIKey | PAGHUDOKESTBEL-UHFFFAOYSA-N |
Product Overview
Coproporphyrin III tetraethyl ester (CAS 77934-49-7), with molecular formula C44H54N4O8 and molecular weight 766.39 g/mol. IUPAC: ethyl 3-[8,13,18-tris(3-ethoxy-3-oxopropyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate.
Chemical Property Profile of Coproporphyrin III tetraethyl ester
Property Insights of Coproporphyrin III tetraethyl ester
The XLogP value of 5.4 indicates that Coproporphyrin III tetraethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting Coproporphyrin III tetraethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Coproporphyrin III tetraethyl ester has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Coproporphyrin III tetraethyl ester?
The CAS number of Coproporphyrin III tetraethyl ester is 77934-49-7.
What is the molecular formula of Coproporphyrin III tetraethyl ester?
The molecular formula of Coproporphyrin III tetraethyl ester is C44H54N4O8.
What is the molecular weight of Coproporphyrin III tetraethyl ester?
The molecular weight of Coproporphyrin III tetraethyl ester is 766.39 g/mol.
Where can I buy Coproporphyrin III tetraethyl ester?
You can request a quote for Coproporphyrin III tetraethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coproporphyrin III tetraethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Coproporphyrin III tetraethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.