Verdohemochrome
TL;DR: Verdohemochrome (CAS 17567-74-7) is a chemical compound with molecular formula C43H42FeN6O6 and molecular weight 794.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[14-(2-carboxylatoethyl)-5,20-bis(ethenyl)-3-hydroxy-4,9,15,19-tetramethyl-2-oxa-22,24-diaza-21,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),4,6(24),7,9,11,13(22),14,16,18-decaen-10-yl]propanoate;hydron;iron(2+);bis(pyridine)
Also Known As: Verdohemochrome, 3-[14-(2-carboxylatoethyl)-5,20-bis(ethenyl)-3-hydroxy-4,9,15,19-tetramethyl-2-oxa-22,24-diaza-21,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),4,6(24),7,9,11,13(22),14,16,18-decaen-10-yl]propanoate;hydron;iron(2+);pyridine
| Molecular Formula | C43H42FeN6O6 |
|---|---|
| Molecular Weight | 794.25 g/mol |
| LogP | 2.82794 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 794.2515 |
| Heavy Atoms | 56 |
| Complexity | 1590.0 |
Chemical Identifiers
| CAS Number | 17567-74-7 |
|---|---|
| SMILES | [H+].[H+].CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)OC5(C(=C(C(=N5)C=C1[N-]2)C=C)C)O)C=C)C)C(=C3CCC(=O)[O-])C)CCC(=O)[O-].C1=CC=NC=C1.C1=CC=NC=C1.[Fe+2] |
| InChIKey | PPRKNKUFAWBGMY-UHFFFAOYSA-L |
Product Overview
Verdohemochrome (CAS 17567-74-7), with molecular formula C43H42FeN6O6 and molecular weight 794.25 g/mol. IUPAC: 3-[14-(2-carboxylatoethyl)-5,20-bis(ethenyl)-3-hydroxy-4,9,15,19-tetramethyl-2-oxa-22,24-diaza-21,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),4,6(24),7,9,11,13(22),14,16,18-decaen-10-yl]propanoate;hydron;iron(2+);bis(pyridine).
Chemical Property Profile of Verdohemochrome
Property Insights of Verdohemochrome
The XLogP value of 2.82794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Verdohemochrome. The TPSA of 162.0 Ų indicates high polarity, suggesting Verdohemochrome may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Verdohemochrome has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Verdohemochrome?
The CAS number of Verdohemochrome is 17567-74-7.
What is the molecular formula of Verdohemochrome?
The molecular formula of Verdohemochrome is C43H42FeN6O6.
What is the molecular weight of Verdohemochrome?
The molecular weight of Verdohemochrome is 794.25 g/mol.
Where can I buy Verdohemochrome?
You can request a quote for Verdohemochrome directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Verdohemochrome?
Yes, KEHONG BIO provides custom synthesis services for Verdohemochrome and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.