Alternatived Products of [ 149402-51-7 ]
Product Details of [ 149402-51-7 ]
CAS No. : 149402-51-7
MDL No. : MFCD11040935
Formula :
C39 H50 N4 O4
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 ]