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[ CAS No. 70-53-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 70-53-1
Chemical Structure| 70-53-1
Structure of 70-53-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 70-53-1 ]

CAS No. :70-53-1 MDL No. :MFCD00064563
Formula : C6H15ClN2O2 Boiling Point : -
Linear Structure Formula :H2N(CH2)4CH(NH2)COOH·HCl InChI Key :BVHLGVCQOALMSV-UHFFFAOYSA-N
M.W : 182.65 Pubchem ID :12047
Synonyms :
DL-Lysine Monohydrochloride
Chemical Name :H-DL-Lys-OH.HCl

Calculated chemistry of [ 70-53-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 5
Num. H-bond acceptors : 4.0
Num. H-bond donors : 3.0
Molar Refractivity : 44.0
TPSA : 89.34 ?2

Pharmacokinetics

GI absorption : Low
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) : -9.01 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -2.25
Log Po/w (WLOGP) : -3.36
Log Po/w (MLOGP) : -2.32
Log Po/w (SILICOS-IT) : -0.72
Consensus Log Po/w : -1.73

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.78
Solubility : 1090.0 mg/ml ; 5.96 mol/l
Class : Highly soluble
Log S (Ali) : 0.91
Solubility : 1480.0 mg/ml ; 8.08 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -0.18
Solubility : 120.0 mg/ml ; 0.658 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.85

Safety of [ 70-53-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P305+P351+P338 UN#:N/A
Hazard Statements:H319 Packing Group:N/A
GHS Pictogram:
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