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[ CAS No. 2092310-65-9 ]

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Chemical Structure| 2092310-65-9
Chemical Structure| 2092310-65-9
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Product Details of [ 2092310-65-9 ]

CAS No. :2092310-65-9 MDL No. :MFCD30730705
Formula : C5H10O3S Boiling Point : -
Linear Structure Formula :- InChI Key :NWJDWYQKQUEMFR-UHFFFAOYSA-N
M.W :150.20 g/mol Pubchem ID :130878175
Synonyms :

Calculated chemistry of [ 2092310-65-9 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 34.16
TPSA : 62.75 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.54 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.89
Log Po/w (XLOGP3) : -0.46
Log Po/w (WLOGP) : 0.64
Log Po/w (MLOGP) : -0.48
Log Po/w (SILICOS-IT) : -0.18
Consensus Log Po/w : 0.08

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.42
Solubility : 57.7 mg/ml ; 0.384 mol/l
Class : Very soluble
Log S (Ali) : -0.39
Solubility : 61.0 mg/ml ; 0.406 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.25
Solubility : 85.0 mg/ml ; 0.566 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.24

Safety of [ 2092310-65-9 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
Historical Records

Related Functional Groups of
[ 2092310-65-9 ]

Alcohols

Chemical Structure| 474383-87-4

[ 474383-87-4 ]

(2S,3R,4S)-3,4-Dihydroxy-2-pentyltetrahydrothiophene 1,1-dioxide

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