8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid
TL;DR: 8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid (CAS 644-00-8) is a chemical compound with molecular formula C31H34N4O2 and molecular weight 494.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(8,13-diethyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl)propanoic acid
Also Known As: PYRROPORPHYRIN, Pyrroporphyrin IX, J2.937.093A, 8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid, 3-(8,13-diethyl-3,7,12,17-tetramethylporphyrin-2-yl)propanoic acid
| Molecular Formula | C31H34N4O2 |
|---|---|
| Molecular Weight | 494.27 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.2682 |
| Heavy Atoms | 37 |
| Complexity | 793.0 |
Chemical Identifiers
| CAS Number | 644-00-8 |
|---|---|
| SMILES | CCC1=C2C=C3C(=CC(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5C)CC)C(=C4CCC(=O)O)C)N3)C |
| InChIKey | QOPJEFQXHWQPTC-UHFFFAOYSA-N |
Product Overview
8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid (CAS 644-00-8), with molecular formula C31H34N4O2 and molecular weight 494.27 g/mol. IUPAC: 3-(8,13-diethyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl)propanoic acid.
Chemical Property Profile of 8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid
Property Insights of 8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid
The XLogP value of 4.9 indicates that 8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid. Following Lipinski's Rule of Five, 8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid?
The CAS number of 8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid is 644-00-8.
What is the molecular formula of 8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid?
The molecular formula of 8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid is C31H34N4O2.
What is the molecular weight of 8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid?
The molecular weight of 8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid is 494.27 g/mol.
Where can I buy 8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid?
You can request a quote for 8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 8,13-Diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.