亚硝酰(原卟啉IX二甲酯)铁(II)
TL;DR: 亚硝酰(原卟啉IX二甲酯)铁(II) (CAS 74936-44-0) is a chemical compound with molecular formula C36H36FeN5O5+ and molecular weight 674.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亚硝酰(原卟啉IX二甲酯)铁(II)
azanylidyneoxidanium;iron(2+);methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate
Also Known As: Fe(Ppixdme)(No), Nitrosyl(protoporphyrin IX dimethyl ester)iron II, azanylidyneoxidanium;iron(2+);methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate, azanylidyneoxidanium; iron(2+); methyl 3-[7,12-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate, Iron(1+), (dimethyl 7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(2-)-N21,N22,N23,N24)nitrosyl-, (SP-5-13)-
| Molecular Formula | C36H36FeN5O5+ |
|---|---|
| Molecular Weight | 674.21 g/mol |
| LogP | 6.52822 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 674.2066 |
| Heavy Atoms | 47 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 74936-44-0 |
|---|---|
| SMILES | 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)OC)CCC(=O)OC.N#[O+].[Fe+2] |
| InChIKey | VQOSQBYIUPQNJK-UHFFFAOYSA-N |
Product Overview
亚硝酰(原卟啉IX二甲酯)铁(II) (CAS 74936-44-0), with molecular formula C36H36FeN5O5+ and molecular weight 674.21 g/mol. IUPAC: azanylidyneoxidanium;iron(2+);methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate.
Chemical Property Profile of 亚硝酰(原卟啉IX二甲酯)铁(II)
Property Insights of 亚硝酰(原卟啉IX二甲酯)铁(II)
The XLogP value of 6.52822 indicates that 亚硝酰(原卟啉IX二甲酯)铁(II) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 亚硝酰(原卟啉IX二甲酯)铁(II). Following Lipinski's Rule of Five, 亚硝酰(原卟啉IX二甲酯)铁(II) has 0 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 亚硝酰(原卟啉IX二甲酯)铁(II)?
The CAS number of 亚硝酰(原卟啉IX二甲酯)铁(II) is 74936-44-0.
What is the molecular formula of 亚硝酰(原卟啉IX二甲酯)铁(II)?
The molecular formula of 亚硝酰(原卟啉IX二甲酯)铁(II) is C36H36FeN5O5+.
What is the molecular weight of 亚硝酰(原卟啉IX二甲酯)铁(II)?
The molecular weight of 亚硝酰(原卟啉IX二甲酯)铁(II) is 674.21 g/mol.
Where can I buy 亚硝酰(原卟啉IX二甲酯)铁(II)?
You can request a quote for 亚硝酰(原卟啉IX二甲酯)铁(II) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亚硝酰(原卟啉IX二甲酯)铁(II)?
Yes, KEHONG BIO provides custom synthesis services for 亚硝酰(原卟啉IX二甲酯)铁(II) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.