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Porphyrin precursor

CAT: 0804-HY-117544-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-117544-01Size:5 mg
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Description
Porphyrin precursor is the precursor of Porphyrin for the synthesis of Porphyrin. Porphyrin is a large organic compound containing four modified pyrrole subunits interconnected to each other[1].
CAS Number
149365-62-8
UNSPSC
12352005
Target
Drug Intermediate
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/porphyrin-precursor.html
Purity
95.0
Solubility
10 mM in DMSO
Smiles
CCC1=C(CC2=C(CCCO)C(C)=C(C=O)N2)NC(CC3=C(CCCO)C(C)=C(C=O)N3)=C1CC
Molecular Formula
C28H39N3O4
Molecular Weight
481.63
References & Citations
[1]Difference Between Porphyrin and Protoporphyrin.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Porphyrin precursor
CAS Number149365-62-8
PubChem CID11237009
IUPAC Name5-[[3,4-diethyl-5-[[5-formyl-3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2-carbaldehyde
Molecular FormulaC28H39N3O4
Molecular Weight481.6
XLogP4.1
Topological Polar Surface Area122
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count35
Formal Charge0
Complexity610
SMILES
CCC1=C(NC(=C1CC)CC2=C(C(=C(N2)C=O)C)CCCO)CC3=C(C(=C(N3)C=O)C)CCCO
InChI
InChI=1S/C28H39N3O4/c1-5-19-20(6-2)24(14-26-22(10-8-12-33)18(4)28(16-35)31-26)29-23(19)13-25-21(9-7-11-32)17(3)27(15-34)30-25/h15-16,29-33H,5-14H2,1-4H3
InChIKey
OOOQNKMJLOLMHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Porphyrin precursor
CAS: 149365-62-8
CID: 11237009
Formula: C28H39N3O4
MW: 481.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.6
XLogP34.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass481.29405673
Monoisotopic Mass481.29405673
Topological Polar Surface Area122 Ų
Heavy Atom Count35
Formal Charge0
Complexity610
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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