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[ CAS No. 207605-40-1 ] {[proInfo.proName]}

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Chemical Structure| 207605-40-1
Chemical Structure| 207605-40-1
Structure of 207605-40-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 207605-40-1 ]

CAS No. :207605-40-1 MDL No. :MFCD00149548
Formula : C5H13NaO4S Boiling Point : -
Linear Structure Formula :- InChI Key :FPQYXAFKHLSWTI-UHFFFAOYSA-M
M.W : 192.21 Pubchem ID :23693099
Synonyms :

Calculated chemistry of [ 207605-40-1 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 37.88
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) : -7.17 cm/s

Lipophilicity

Log Po/w (iLOGP) : -9.11
Log Po/w (XLOGP3) : 0.43
Log Po/w (WLOGP) : 1.74
Log Po/w (MLOGP) : -0.13
Log Po/w (SILICOS-IT) : 0.07
Consensus Log Po/w : -1.4

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.04
Solubility : 17.6 mg/ml ; 0.0915 mol/l
Class : Very soluble
Log S (Ali) : -1.57
Solubility : 5.19 mg/ml ; 0.027 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.22
Solubility : 11.6 mg/ml ; 0.0603 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.26

Safety of [ 207605-40-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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