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[ CAS No. 3155-42-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 3155-42-8
Chemical Structure| 3155-42-8
Chemical Structure| 3155-42-8
Structure of 3155-42-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 3155-42-8 ]

CAS No. :3155-42-8 MDL No. :MFCD30185943
Formula : C18H36O3 Boiling Point : -
Linear Structure Formula :- InChI Key :VLHZUYUOEGBBJB-UHFFFAOYSA-N
M.W : 300.48 Pubchem ID :5282915
Synonyms :

Calculated chemistry of [ 3155-42-8 ]

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.94
Num. rotatable bonds : 17
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 91.57
TPSA : 57.53 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -3.4 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.02
Log Po/w (XLOGP3) : 6.66
Log Po/w (WLOGP) : 5.3
Log Po/w (MLOGP) : 3.79
Log Po/w (SILICOS-IT) : 5.57
Consensus Log Po/w : 5.07

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -4.78
Solubility : 0.00502 mg/ml ; 0.0000167 mol/l
Class : Moderately soluble
Log S (Ali) : -7.67
Solubility : 0.00000642 mg/ml ; 0.0000000214 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -5.55
Solubility : 0.000849 mg/ml ; 0.00000282 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.57

Safety of [ 3155-42-8 ]

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:

Application In Synthesis of [ 3155-42-8 ]

* 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.

  • Downstream synthetic route of [ 3155-42-8 ]

[ 3155-42-8 ] Synthesis Path-Downstream   1~45

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  • [ 98-59-9 ]
  • [ 344600-04-0 ]
YieldReaction ConditionsOperation in experiment
Any omega-hydroxy acid which falls within Formula V may be synthesised according to inventive processes A and B. Examples of omega-hydroxy acids that may be synthesised include, but are not limited to: ... 15-hydroxy pentadecanoic acid 2,9-dihydroxy dihydroxy nonanoic acid 16-hydroxy hexadecanoic acid 17-hydroxy heptadecanoic acid 18-hydroxy octadecanoic acid 19-hydroxy nonadecanoic acid 2,15-dihydroxy pentadecanoic acid 20-hydroxy eicosanoic acid ...
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  • hexadecane-dicarboxylic acid-(1.16)-dimethyl ester [ No CAS ]
  • [ 3155-43-9 ]
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  • Methyl cis-18-triacontenoate [ No CAS ]
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  • Methyl trans-18-triacontenoate [ No CAS ]
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  • [ 62285-66-9 ]
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  • 18-iodo-octadecanoic acid [ No CAS ]
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  • [ 17643-36-6 ]
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  • [ 2834-05-1 ]
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  • [ 2104-19-0 ]
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  • 29-tert-Butyldimethylsilyloxy-3,11-dimethyl-1-nonacosen [ No CAS ]
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  • [ 83483-73-2 ]
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  • [ 83483-75-4 ]
  • 40
  • [ 50516-04-6 ]
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  • 41
  • thiooctadecanedioic acid <i>S</i>-ethyl ester-<i>O</i>-methyl ester [ No CAS ]
  • [ 3155-42-8 ]
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  • [ 3155-42-8 ]
  • [ 19307-16-5 ]
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  • [ 2380-17-8 ]
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  • [ 97084-71-4 ]
  • 45
  • 18-hydroxyoctadec-11-ynoic acid [ No CAS ]
  • [ 3155-42-8 ]
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