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[ CAS No. 917-23-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 917-23-7
Chemical Structure| 917-23-7
Structure of 917-23-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 917-23-7 ]

CAS No. :917-23-7 MDL No. :MFCD00011680
Formula : C44H30N4 Boiling Point : -
Linear Structure Formula :- InChI Key :YNHJECZULSZAQK-UHFFFAOYSA-N
M.W : 614.74 Pubchem ID :86280046
Synonyms :
TPP;Tetraphenylporphine;meso-Tetraphenylporphyrin

Calculated chemistry of [ 917-23-7 ]

Physicochemical Properties

Num. heavy atoms : 48
Num. arom. heavy atoms : 34
Fraction Csp3 : 0.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 203.47
TPSA : 56.3 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -2.66 cm/s

Lipophilicity

Log Po/w (iLOGP) : 5.53
Log Po/w (XLOGP3) : 10.41
Log Po/w (WLOGP) : 7.23
Log Po/w (MLOGP) : 4.98
Log Po/w (SILICOS-IT) : 10.13
Consensus Log Po/w : 7.66

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -10.47
Solubility : 0.0000000208 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (Ali) : -11.54
Solubility : 0.0000000018 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -15.45
Solubility : 0.0 mg/ml ; 3.56e-16 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 7.47

Safety of [ 917-23-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 917-23-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 917-23-7 ]
  • Downstream synthetic route of [ 917-23-7 ]

[ 917-23-7 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 109-97-7 ]
  • [ 100-52-7 ]
  • [ 123-08-0 ]
  • [ 917-23-7 ]
  • [ 51094-17-8 ]
  • [ 87345-22-0 ]
Reference: [1] ChemistryOpen, 2015, vol. 4, # 2, p. 127 - 136
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