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[ CAS No. 1256358-61-8 ] {[proInfo.proName]}

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Chemical Structure| 1256358-61-8
Chemical Structure| 1256358-61-8
Structure of 1256358-61-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1256358-61-8 ]

CAS No. :1256358-61-8 MDL No. :MFCD14687274
Formula : C10H15BO4 Boiling Point : -
Linear Structure Formula :- InChI Key :SDOBFXINMOTWOZ-UHFFFAOYSA-N
M.W : 210.03 Pubchem ID :53211412
Synonyms :

Calculated chemistry of [ 1256358-61-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.4
Num. rotatable bonds : 6
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 57.82
TPSA : 58.92 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) : -7.35 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.33
Log Po/w (WLOGP) : -0.62
Log Po/w (MLOGP) : -0.17
Log Po/w (SILICOS-IT) : -0.16
Consensus Log Po/w : -0.12

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.25
Solubility : 11.8 mg/ml ; 0.0562 mol/l
Class : Very soluble
Log S (Ali) : -1.13
Solubility : 15.5 mg/ml ; 0.074 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.38
Solubility : 0.882 mg/ml ; 0.0042 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.42

Safety of [ 1256358-61-8 ]

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