Protoporphyrin IX dimethyl ester
TL;DR: Protoporphyrin IX dimethyl ester (CAS 96251-63-7) is a chemical compound with molecular formula C36H38N4O4 and molecular weight 590.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
Also Known As: Protoporphyrin IX dimethyl ester, propanoate, Protoporphyrin dimethyl ester, Ooporpyhrin dimethyl ester, Protoporphyrin IX dimethylester
| Molecular Formula | C36H38N4O4 |
|---|---|
| Molecular Weight | 590.29 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 590.2893 |
| Heavy Atoms | 44 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 96251-63-7 |
|---|---|
| SMILES | CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C=C |
| InChIKey | LQBPATQBTSBIIH-UHFFFAOYSA-N |
Product Overview
Protoporphyrin IX dimethyl ester (CAS 96251-63-7), with molecular formula C36H38N4O4 and molecular weight 590.29 g/mol. IUPAC: methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate.
Chemical Property Profile of Protoporphyrin IX dimethyl ester
Property Insights of Protoporphyrin IX dimethyl ester
The XLogP value of 5.3 indicates that Protoporphyrin IX dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Protoporphyrin IX dimethyl ester. Following Lipinski's Rule of Five, Protoporphyrin IX dimethyl ester has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Protoporphyrin IX dimethyl ester?
The CAS number of Protoporphyrin IX dimethyl ester is 96251-63-7.
What is the molecular formula of Protoporphyrin IX dimethyl ester?
The molecular formula of Protoporphyrin IX dimethyl ester is C36H38N4O4.
What is the molecular weight of Protoporphyrin IX dimethyl ester?
The molecular weight of Protoporphyrin IX dimethyl ester is 590.29 g/mol.
Where can I buy Protoporphyrin IX dimethyl ester?
You can request a quote for Protoporphyrin IX dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Protoporphyrin IX dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Protoporphyrin IX dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.