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Sodium dodecyl sulfate

Sodium dodecyl sulfate

CAS No. :151-21-3MDL No. :MFCD00036175Formula :C12H25NaO4SBoiling Point :-Linear Structure Formula :-InChI Key :DBMJMQXJ

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CAS No. :151-21-3 Brand :Qitai
Formula :C12H25NaO4S M.W :288.38

Introduction

CAS No. :151-21-3 MDL No. :MFCD00036175
Formula : C12H25NaO4S Boiling Point : -
Linear Structure Formula :- InChI Key :DBMJMQXJHONAFJ-UHFFFAOYSA-M
M.W : 288.38 Pubchem ID :3423265
Synonyms :
Sodium dodecyl sulfate;Sodium lauryl sulfate for electrophoresis;Natrium laurylsulfuricum;Anticerumen;NSC 402488;Sodium lauryl sulfate;Laurylsulfuric acid sodium salt for electrophoresis
Chemical Name :Sodium dodecyl sulfate

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 12
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 69.57
TPSA : 74.81 Ų

Pharmacokinetics

GI absorption : High
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) : -4.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : -10.44
Log Po/w (XLOGP3) : 4.74
Log Po/w (WLOGP) : 4.46
Log Po/w (MLOGP) : 2.53
Log Po/w (SILICOS-IT) : 2.52
Consensus Log Po/w : 0.76

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.82
Solubility : 0.0434 mg/ml ; 0.000151 mol/l
Class : Soluble
Log S (Ali) : -6.04
Solubility : 0.000262 mg/ml ; 0.00000091 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -3.81
Solubility : 0.0445 mg/ml ; 0.000154 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.16
Signal Word:Danger Class:4.1
Precautionary Statements:P210-P240-P241-P261-P264-P270-P271-P273-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P370+P378-P403+P233-P405-P501 UN#:1325
Hazard Statements:H228-H302+H332-H315-H318-H335-H401-H412 Packing Group:Ⅲ
GHS Pictogram:

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