Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate
TL;DR: Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate (CAS 49620-57-7) is a chemical compound with molecular formula C38H46N4O4 and molecular weight 622.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[18-(3-ethoxy-3-oxopropyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
Also Known As: mesoporphyrin IX diethyl ester, diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate, ethyl 3-[18-(3-ethoxy-3-oxopropyl)-8,13-diethyl-3,7,12,17-te, ethyl 3-[18-(3-ethoxy-3-oxopropyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
| Molecular Formula | C38H46N4O4 |
|---|---|
| Molecular Weight | 622.35 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 622.3519 |
| Heavy Atoms | 46 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 49620-57-7 |
|---|---|
| SMILES | CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OCC)CCC(=O)OCC)C)C)CC)C |
| InChIKey | LBQCKRXCVYHRKX-UHFFFAOYSA-N |
Product Overview
Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate (CAS 49620-57-7), with molecular formula C38H46N4O4 and molecular weight 622.35 g/mol. IUPAC: ethyl 3-[18-(3-ethoxy-3-oxopropyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate.
Chemical Property Profile of Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate
Property Insights of Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate
The XLogP value of 6.1 indicates that Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate 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 Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate. Following Lipinski's Rule of Five, Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate 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 Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate?
The CAS number of Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate is 49620-57-7.
What is the molecular formula of Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate?
The molecular formula of Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate is C38H46N4O4.
What is the molecular weight of Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate?
The molecular weight of Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate is 622.35 g/mol.
Where can I buy Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate?
You can request a quote for Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.