Coproporphyrin III tetramethyl ester
TL;DR: Coproporphyrin III tetramethyl ester (CAS 5522-63-4) is a chemical compound with molecular formula C40H46N4O8 and molecular weight 710.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[8,13,18-tris(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate
Also Known As: Coproporphyrin III tetramethyl ester, CoproporphyrinIIItetramethylester, COPROPORPHYRIN (III) TETRAMETHYL ESTER, J1.404.642I, Tetramethyl 3,8,13,17-tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropionate
| Molecular Formula | C40H46N4O8 |
|---|---|
| Molecular Weight | 710.33 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 710.33154 |
| Heavy Atoms | 52 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 5522-63-4 |
|---|---|
| SMILES | CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)C)CCC(=O)OC)C)CCC(=O)OC)CCC(=O)OC |
| InChIKey | MVHPHWXMJJZYNL-UHFFFAOYSA-N |
Product Overview
Coproporphyrin III tetramethyl ester (CAS 5522-63-4), with molecular formula C40H46N4O8 and molecular weight 710.33 g/mol. IUPAC: methyl 3-[8,13,18-tris(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate.
Chemical Property Profile of Coproporphyrin III tetramethyl ester
Property Insights of Coproporphyrin III tetramethyl ester
The XLogP value of 3.9 indicates that Coproporphyrin III tetramethyl 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 tetramethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Coproporphyrin III tetramethyl 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 tetramethyl ester?
The CAS number of Coproporphyrin III tetramethyl ester is 5522-63-4.
What is the molecular formula of Coproporphyrin III tetramethyl ester?
The molecular formula of Coproporphyrin III tetramethyl ester is C40H46N4O8.
What is the molecular weight of Coproporphyrin III tetramethyl ester?
The molecular weight of Coproporphyrin III tetramethyl ester is 710.33 g/mol.
Where can I buy Coproporphyrin III tetramethyl ester?
You can request a quote for Coproporphyrin III tetramethyl 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 tetramethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Coproporphyrin III tetramethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.