Nitrosoheme
TL;DR: Nitrosoheme (CAS 54854-55-6) is a chemical compound with molecular formula C34H32FeN5O5- and molecular weight 646.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanylidyneoxidanium;3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron
Also Known As: Nitrosoheme, Nitrosylheme, Nitrosylferroheme, Nitrosylprotohaem, Nitrosylprotoheme
| Molecular Formula | C34H32FeN5O5- |
|---|---|
| Molecular Weight | 646.18 g/mol |
| LogP | 3.90702 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 646.1753 |
| Heavy Atoms | 45 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 54854-55-6 |
|---|---|
| SMILES | [H+].[H+].CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)[O-])CCC(=O)[O-].N#[O+].[Fe] |
| InChIKey | VVJKIDCZHAUALD-UHFFFAOYSA-L |
Product Overview
Nitrosoheme (CAS 54854-55-6), with molecular formula C34H32FeN5O5- and molecular weight 646.18 g/mol. IUPAC: azanylidyneoxidanium;3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron.
Chemical Property Profile of Nitrosoheme
Property Insights of Nitrosoheme
The XLogP value of 3.90702 indicates that Nitrosoheme is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitrosoheme. Following Lipinski's Rule of Five, Nitrosoheme has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nitrosoheme?
The CAS number of Nitrosoheme is 54854-55-6.
What is the molecular formula of Nitrosoheme?
The molecular formula of Nitrosoheme is C34H32FeN5O5-.
What is the molecular weight of Nitrosoheme?
The molecular weight of Nitrosoheme is 646.18 g/mol.
Where can I buy Nitrosoheme?
You can request a quote for Nitrosoheme directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrosoheme?
Yes, KEHONG BIO provides custom synthesis services for Nitrosoheme and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.