Uroporphyrin I octaethyl ester
TL;DR: Uroporphyrin I octaethyl ester (CAS 54090-85-6) is a chemical compound with molecular formula C56H70N4O16 and molecular weight 1054.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[3,8,13,18-tetrakis(2-ethoxy-2-oxoethyl)-7,12,17-tris(3-ethoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate
Also Known As: Uroporphyrin I octaethyl ester, UROPORPHYRIN I ETHYL ESTER, ethyl 3-[3,8,13,18-tetrakis(2-ethoxy-2-oxoethyl)-7,12,17-tris(3-ethoxy-3-oxopropyl)-21,22-dihydroporphyrin-2-yl]propanoate, ethyl 3-[5,10,15,20-tetrakis(2-ethoxy-2-oxoethyl)-9,14,19-tris(3-ethoxy-3-oxopropyl)-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 | C56H70N4O16 |
|---|---|
| Molecular Weight | 1054.48 g/mol |
| LogP | 7.932 |
| Topological Polar Surface Area | 267.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 28 |
| Exact Mass | 1054.4786 |
| Heavy Atoms | 76 |
| Complexity | 2888.7668 |
Chemical Identifiers
| CAS Number | 54090-85-6 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC(=O)OCC)CCC(=O)OCC)C(=C4CCC(=O)OCC)CC(=O)OCC)C(=C3CCC(=O)OCC)CC(=O)OCC)CC(=O)OCC |
Product Overview
Uroporphyrin I octaethyl ester (CAS 54090-85-6), with molecular formula C56H70N4O16 and molecular weight 1054.48 g/mol. IUPAC: ethyl 3-[3,8,13,18-tetrakis(2-ethoxy-2-oxoethyl)-7,12,17-tris(3-ethoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate.
Chemical Property Profile of Uroporphyrin I octaethyl ester
Property Insights of Uroporphyrin I octaethyl ester
The XLogP value of 7.932 indicates that Uroporphyrin I octaethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 267.76 Ų indicates high polarity, suggesting Uroporphyrin I octaethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Uroporphyrin I octaethyl ester has 2 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Uroporphyrin I octaethyl ester?
The CAS number of Uroporphyrin I octaethyl ester is 54090-85-6.
What is the molecular formula of Uroporphyrin I octaethyl ester?
The molecular formula of Uroporphyrin I octaethyl ester is C56H70N4O16.
What is the molecular weight of Uroporphyrin I octaethyl ester?
The molecular weight of Uroporphyrin I octaethyl ester is 1054.48 g/mol.
Where can I buy Uroporphyrin I octaethyl ester?
You can request a quote for Uroporphyrin I octaethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Uroporphyrin I octaethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Uroporphyrin I octaethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.