Octaethylverdohemochrome
TL;DR: Octaethylverdohemochrome (CAS 108104-02-5) is a chemical compound with molecular formula C45H53FeN6O+ and molecular weight 749.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
iron(2+);4,5,9,10,14,15,19,20-octaethyl-2-oxa-21,22,23-triaza-24-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),12,14,16(22),17,19-undecaene;bis(pyridine)
Also Known As: Octaethylverdohemochrome, Octaethylverdohaemochrome, (2,3,7,8,12,13,17,18-Octaethyl-21H-5-oxaporphinatol-N21,N22,N23,N24)bis(pyridine)iron(1+), Iron(1+), (2,3,7,8,12,13,17,18-octaethyl-21H-5-oxaporphinatol-N21,N22,N23,N24)bis(pyridine)-, iron(2+);4,5,9,10,14,15,19,20-octaethyl-2-oxa-21,22,23-triaza-24-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),12,14,16(22),17,19-undecaene;pyridine
| Molecular Formula | C45H53FeN6O+ |
|---|---|
| Molecular Weight | 749.36 g/mol |
| LogP | 11.8041 |
| Topological Polar Surface Area | 91.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 749.36304 |
| Heavy Atoms | 53 |
| Complexity | 1924.1075 |
Chemical Identifiers
| CAS Number | 108104-02-5 |
|---|---|
| SMILES | CCC1=C(C2=NC1=CC3=C(C(=C([N-]3)OC4=NC(=CC5=NC(=C2)C(=C5CC)CC)C(=C4CC)CC)CC)CC)CC.C1=CC=NC=C1.C1=CC=NC=C1.[Fe+2] |
Product Overview
Octaethylverdohemochrome (CAS 108104-02-5), with molecular formula C45H53FeN6O+ and molecular weight 749.36 g/mol. IUPAC: iron(2+);4,5,9,10,14,15,19,20-octaethyl-2-oxa-21,22,23-triaza-24-azanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),12,14,16(22),17,19-undecaene;bis(pyridine).
Chemical Property Profile of Octaethylverdohemochrome
Property Insights of Octaethylverdohemochrome
The XLogP value of 11.8041 indicates that Octaethylverdohemochrome is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.69 Ų falls within the moderate polarity range, balancing permeability and solubility for Octaethylverdohemochrome. Following Lipinski's Rule of Five, Octaethylverdohemochrome has 0 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 Octaethylverdohemochrome?
The CAS number of Octaethylverdohemochrome is 108104-02-5.
What is the molecular formula of Octaethylverdohemochrome?
The molecular formula of Octaethylverdohemochrome is C45H53FeN6O+.
What is the molecular weight of Octaethylverdohemochrome?
The molecular weight of Octaethylverdohemochrome is 749.36 g/mol.
Where can I buy Octaethylverdohemochrome?
You can request a quote for Octaethylverdohemochrome directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octaethylverdohemochrome?
Yes, KEHONG BIO provides custom synthesis services for Octaethylverdohemochrome and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.