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[ CAS No. 149402-51-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 149402-51-7
Chemical Structure| 149402-51-7
Structure of 149402-51-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 149402-51-7 ]

CAS No. :149402-51-7 MDL No. :MFCD11040935
Formula : C39H50N4O4 Boiling Point : -
Linear Structure Formula :- InChI Key :PUUBADHCONCMPA-USOGPTGWSA-N
M.W : 638.84 Pubchem ID :148160
Synonyms :
Photochlor;Pyropheophorbide-α-hexyl-ether;2-(1'-hexyloxyethyl)-2-devinylpyropheophorbide-a.;2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a;2-[1-hexyloxyethyl]-2-devinyl Pyropheophorbide a
Chemical Name :(3S,4S)-14-Ethyl-9-(1-(hexyloxy)ethyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid

Calculated chemistry of [ 149402-51-7 ]

Physicochemical Properties

Num. heavy atoms : 47
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.51
Num. rotatable bonds : 11
Num. H-bond acceptors : 5.0
Num. H-bond donors : 4.0
Molar Refractivity : 197.82
TPSA : 119.57 Ų

Pharmacokinetics

GI absorption : None
BBB permeant : None
P-gp substrate : None
CYP1A2 inhibitor : None
CYP2C19 inhibitor : None
CYP2C9 inhibitor : None
CYP2D6 inhibitor : None
CYP3A4 inhibitor : None
Log Kp (skin permeation) : None cm/s

Lipophilicity

Log Po/w (iLOGP) : None
Log Po/w (XLOGP3) : None
Log Po/w (WLOGP) : 5.04
Log Po/w (MLOGP) : None
Log Po/w (SILICOS-IT) : None
Consensus Log Po/w : None

Druglikeness

Lipinski : None
Ghose : None
Veber : None
Egan : None
Muegge : None
Bioavailability Score : None

Water Solubility

Log S (ESOL) : None
Solubility : None mg/ml ; None mol/l
Class : None
Log S (Ali) : None
Solubility : None mg/ml ; None mol/l
Class : None
Log S (SILICOS-IT) : None
Solubility : None mg/ml ; None mol/l
Class : None

Medicinal Chemistry

PAINS : None alert
Brenk : None alert
Leadlikeness : None
Synthetic accessibility : None

Safety of [ 149402-51-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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