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[ CAS No. 7365-82-4 ] {[proInfo.proName]}

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Chemical Structure| 7365-82-4
Chemical Structure| 7365-82-4
Structure of 7365-82-4 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 7365-82-4 ]

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Product Details of [ 7365-82-4 ]

CAS No. :7365-82-4 MDL No. :MFCD00008030
Formula : C4H10N2O4S Boiling Point : No data available
Linear Structure Formula :- InChI Key :DBXNUXBLKRLWFA-UHFFFAOYSA-N
M.W : 182.20 Pubchem ID :81832
Synonyms :
Chemical Name :N-(Carbamoylmethyl)-2-aminoethanesulfonic Acid

Calculated chemistry of [ 7365-82-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.75
Num. rotatable bonds : 5
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 37.59
TPSA : 117.87 ?2

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) : -10.71 cm/s

Lipophilicity

Log Po/w (iLOGP) : -0.45
Log Po/w (XLOGP3) : -4.65
Log Po/w (WLOGP) : -0.97
Log Po/w (MLOGP) : -1.87
Log Po/w (SILICOS-IT) : -1.9
Consensus Log Po/w : -1.97

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 3.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 2.29
Solubility : 35500.0 mg/ml ; 195.0 mol/l
Class : Highly soluble
Log S (Ali) : 2.8
Solubility : 115000.0 mg/ml ; 629.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -0.09
Solubility : 149.0 mg/ml ; 0.82 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.4

Safety of [ 7365-82-4 ]

Signal Word:Warning Class:
Precautionary Statements:P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501 UN#:
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:
GHS Pictogram:
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