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[ CAS No. 1119-34-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1119-34-2
Chemical Structure| 1119-34-2
Structure of 1119-34-2 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 1119-34-2 ]

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Product Details of [ 1119-34-2 ]

CAS No. :1119-34-2 MDL No. :MFCD00064550
Formula : C6H15ClN4O2 Boiling Point : No data available
Linear Structure Formula :H2NCH(CH2CH2CH2NHC(NH2)NH)CO2H·HCl InChI Key :KWTQSFXGGICVPE-WCCKRBBISA-N
M.W : 210.66 Pubchem ID :66250
Synonyms :
L-Arg; (S)-(+)-Arginine HCl; H-Arg-OH.HCl
Chemical Name :(S)-2-Amino-5-guanidinopentanoic acid hydrochloride

Calculated chemistry of [ 1119-34-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 6
Num. H-bond acceptors : 4.0
Num. H-bond donors : 5.0
Molar Refractivity : 51.5
TPSA : 125.22 ?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) : -10.0 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -3.4
Log Po/w (WLOGP) : -0.54
Log Po/w (MLOGP) : -2.85
Log Po/w (SILICOS-IT) : -1.61
Consensus Log Po/w : -1.68

Druglikeness

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

Water Solubility

Log S (ESOL) : 1.39
Solubility : 5190.0 mg/ml ; 24.7 mol/l
Class : Highly soluble
Log S (Ali) : 1.35
Solubility : 4690.0 mg/ml ; 22.3 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.06
Solubility : 242.0 mg/ml ; 1.15 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.25

Safety of [ 1119-34-2 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1119-34-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1119-34-2 ]
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