Dimethyl 3,3'-(7,12-dicyano-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate
TL;DR: Dimethyl 3,3'-(7,12-dicyano-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate (CAS 7253-86-3) is a chemical compound with molecular formula C34H32N6O4 and molecular weight 588.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[8,13-dicyano-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
Also Known As: Dimethyl 3,3'-(7,12-dicyano-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate, methyl 3-[7,12-dicyano-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate, methyl 3-[8,13-dicyano-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
| Molecular Formula | C34H32N6O4 |
|---|---|
| Molecular Weight | 588.25 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 588.2485 |
| Heavy Atoms | 44 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 7253-86-3 |
|---|---|
| SMILES | CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C#N)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C#N |
| InChIKey | GCYLRWYOAVMGKS-UHFFFAOYSA-N |
Product Overview
Dimethyl 3,3'-(7,12-dicyano-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate (CAS 7253-86-3), with molecular formula C34H32N6O4 and molecular weight 588.25 g/mol. IUPAC: methyl 3-[8,13-dicyano-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate.
Chemical Property Profile of Dimethyl 3,3'-(7,12-dicyano-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate
Property Insights of Dimethyl 3,3'-(7,12-dicyano-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate
The XLogP value of 3.2 indicates that Dimethyl 3,3'-(7,12-dicyano-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 158.0 Ų indicates high polarity, suggesting Dimethyl 3,3'-(7,12-dicyano-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl 3,3'-(7,12-dicyano-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl 3,3'-(7,12-dicyano-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate?
The CAS number of Dimethyl 3,3'-(7,12-dicyano-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate is 7253-86-3.
What is the molecular formula of Dimethyl 3,3'-(7,12-dicyano-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate?
The molecular formula of Dimethyl 3,3'-(7,12-dicyano-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate is C34H32N6O4.
What is the molecular weight of Dimethyl 3,3'-(7,12-dicyano-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate?
The molecular weight of Dimethyl 3,3'-(7,12-dicyano-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate is 588.25 g/mol.
Where can I buy Dimethyl 3,3'-(7,12-dicyano-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate?
You can request a quote for Dimethyl 3,3'-(7,12-dicyano-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 Dimethyl 3,3'-(7,12-dicyano-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3,3'-(7,12-dicyano-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.