过氧乙酸尿卟啉I
TL;DR: 过氧乙酸尿卟啉I (CAS 156274-19-0) is a chemical compound with molecular formula C54H66N4O17 and molecular weight 1042.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
过氧乙酸尿卟啉I
2-[7,12,17-tris(2-ethoxy-2-oxoethyl)-3,8,13,18-tetrakis(3-ethoxy-3-oxopropyl)-22,23-dihydroporphyrin-2-yl]ethaneperoxoic acid
Also Known As: Peroxyacetic acid uroporphyrin I, KST-1A1729, [7,12,17-tris(2-ethoxy-2-oxoethyl)-3,8,13,18-tetrakis(3-ethoxy-3-oxopropyl)porphyrin-2-yl]ethaneperoxoic acid, 2-[7,12,17-tris(2-ethoxy-2-oxoethyl)-3,8,13,18-tetrakis(3-ethoxy-3-oxopropyl)-22,23-dihydroporphyrin-2-yl]ethaneperoxoic acid, 21H,23H-Porphine-2-ethaneperoxoicacid,7,12,17-tris(2-ethoxy-2-oxoethyl)-3,8,13,18-tetrakis(3-ethoxy-3-oxopropyl)-(9CI)
| Molecular Formula | C54H66N4O17 |
|---|---|
| Molecular Weight | 1042.44 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 35 |
| Exact Mass | 1042.4423 |
| Heavy Atoms | 75 |
| Complexity | 1890.0 |
Chemical Identifiers
| CAS Number | 156274-19-0 |
|---|---|
| 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)OO)CC(=O)OCC |
| InChIKey | KLYCXBRBYHTKKX-UHFFFAOYSA-N |
Product Overview
过氧乙酸尿卟啉I (CAS 156274-19-0), with molecular formula C54H66N4O17 and molecular weight 1042.44 g/mol. IUPAC: 2-[7,12,17-tris(2-ethoxy-2-oxoethyl)-3,8,13,18-tetrakis(3-ethoxy-3-oxopropyl)-22,23-dihydroporphyrin-2-yl]ethaneperoxoic acid.
Chemical Property Profile of 过氧乙酸尿卟啉I
Property Insights of 过氧乙酸尿卟啉I
The XLogP value of 3.7 indicates that 过氧乙酸尿卟啉I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 288.0 Ų indicates high polarity, suggesting 过氧乙酸尿卟啉I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 过氧乙酸尿卟啉I has 3 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 过氧乙酸尿卟啉I?
The CAS number of 过氧乙酸尿卟啉I is 156274-19-0.
What is the molecular formula of 过氧乙酸尿卟啉I?
The molecular formula of 过氧乙酸尿卟啉I is C54H66N4O17.
What is the molecular weight of 过氧乙酸尿卟啉I?
The molecular weight of 过氧乙酸尿卟啉I is 1042.44 g/mol.
Where can I buy 过氧乙酸尿卟啉I?
You can request a quote for 过氧乙酸尿卟啉I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 过氧乙酸尿卟啉I?
Yes, KEHONG BIO provides custom synthesis services for 过氧乙酸尿卟啉I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.