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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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Alternatived Products of [ 1119-34-2 ]

Product Details of [ 1119-34-2 ]

CAS No. :1119-34-2 MDL No. :MFCD00064550
Formula : C6H15ClN4O2 Boiling Point : -
Linear Structure Formula :- InChI Key :KWTQSFXGGICVPE-WCCKRBBISA-N
M.W :210.66 Pubchem ID :66250
Synonyms :
L-Arginine hydrochloride

Calculated chemistry of [ 1119-34-2 ]

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 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) : -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:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
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.

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

[ 1119-34-2 ] Synthesis Path-Upstream   1~20

  • 1
  • [ 1119-34-2 ]
  • [ 372-75-8 ]
Reference: [1] Journal of Chemical Thermodynamics, 1993, vol. 25, # 2, p. 293 - 305
  • 2
  • [ 1119-34-2 ]
  • [ 2149-70-4 ]
Reference: [1] Justus Liebigs Annalen der Chemie, 1961, vol. 642, p. 145 - 162
[2] Bulletin of the Chemical Society of Japan, 1967, vol. 40, # 5, p. 1205 - 1208
  • 3
  • [ 24424-99-5 ]
  • [ 1119-34-2 ]
  • [ 13726-76-6 ]
Reference: [1] Research on Chemical Intermediates, 2018, vol. 44, # 3, p. 1811 - 1832
  • 4
  • [ 34619-03-9 ]
  • [ 1119-34-2 ]
  • [ 13726-76-6 ]
Reference: [1] Journal of Medicinal Chemistry, 1982, vol. 25, # 10, p. 1209 - 1213
  • 5
  • [ 74-79-3 ]
  • [ 1119-34-2 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 11, p. 2616 - 2621
[2] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 20, p. 5000 - 5006
  • 6
  • [ 1207348-80-8 ]
  • [ 138-15-8 ]
  • [ 1119-34-2 ]
  • [ 66866-67-9 ]
  • [ 17694-98-3 ]
  • [ 60143-52-4 ]
Reference: [1] Journal of Natural Products, 2010, vol. 73, # 3, p. 352 - 358
  • 7
  • [ 914606-75-0 ]
  • [ 473-81-4 ]
  • [ 138-15-8 ]
  • [ 1119-34-2 ]
  • [ 66866-67-9 ]
  • [ 17694-98-3 ]
  • [ 60143-52-4 ]
Reference: [1] Journal of Natural Products, 2010, vol. 73, # 3, p. 352 - 358
  • 8
  • [ 1207348-70-6 ]
  • [ 473-81-4 ]
  • [ 138-15-8 ]
  • [ 1119-34-2 ]
  • [ 66866-67-9 ]
  • [ 17694-98-3 ]
  • [ 60143-52-4 ]
Reference: [1] Journal of Natural Products, 2010, vol. 73, # 3, p. 352 - 358
  • 9
  • [ 1207348-72-8 ]
  • [ 473-81-4 ]
  • [ 138-15-8 ]
  • [ 1119-34-2 ]
  • [ 66866-67-9 ]
  • [ 17694-98-3 ]
  • [ 60143-52-4 ]
Reference: [1] Journal of Natural Products, 2010, vol. 73, # 3, p. 352 - 358
  • 10
  • [ 1207348-74-0 ]
  • [ 473-81-4 ]
  • [ 138-15-8 ]
  • [ 1119-34-2 ]
  • [ 66866-67-9 ]
  • [ 17694-98-3 ]
  • [ 60143-52-4 ]
Reference: [1] Journal of Natural Products, 2010, vol. 73, # 3, p. 352 - 358
  • 11
  • [ 1207348-76-2 ]
  • [ 473-81-4 ]
  • [ 138-15-8 ]
  • [ 1119-34-2 ]
  • [ 66866-67-9 ]
  • [ 17694-98-3 ]
  • [ 60143-52-4 ]
Reference: [1] Journal of Natural Products, 2010, vol. 73, # 3, p. 352 - 358
  • 12
  • [ 1207348-78-4 ]
  • [ 473-81-4 ]
  • [ 138-15-8 ]
  • [ 1119-34-2 ]
  • [ 66866-67-9 ]
  • [ 17694-98-3 ]
  • [ 60143-52-4 ]
Reference: [1] Journal of Natural Products, 2010, vol. 73, # 3, p. 352 - 358
  • 13
  • [ 1207348-80-8 ]
  • [ 1119-34-2 ]
  • [ 66866-67-9 ]
  • [ 17694-98-3 ]
  • [ 60143-52-4 ]
Reference: [1] Journal of Natural Products, 2010, vol. 73, # 3, p. 352 - 358
  • 14
  • [ 914606-75-0 ]
  • [ 473-81-4 ]
  • [ 1119-34-2 ]
  • [ 66866-67-9 ]
  • [ 17694-98-3 ]
  • [ 60143-52-4 ]
Reference: [1] Journal of Natural Products, 2010, vol. 73, # 3, p. 352 - 358
  • 15
  • [ 1207348-70-6 ]
  • [ 473-81-4 ]
  • [ 1119-34-2 ]
  • [ 66866-67-9 ]
  • [ 17694-98-3 ]
  • [ 60143-52-4 ]
Reference: [1] Journal of Natural Products, 2010, vol. 73, # 3, p. 352 - 358
  • 16
  • [ 1207348-72-8 ]
  • [ 473-81-4 ]
  • [ 1119-34-2 ]
  • [ 66866-67-9 ]
  • [ 17694-98-3 ]
  • [ 60143-52-4 ]
Reference: [1] Journal of Natural Products, 2010, vol. 73, # 3, p. 352 - 358
  • 17
  • [ 1207348-74-0 ]
  • [ 473-81-4 ]
  • [ 1119-34-2 ]
  • [ 66866-67-9 ]
  • [ 17694-98-3 ]
  • [ 60143-52-4 ]
Reference: [1] Journal of Natural Products, 2010, vol. 73, # 3, p. 352 - 358
  • 18
  • [ 1207348-76-2 ]
  • [ 473-81-4 ]
  • [ 1119-34-2 ]
  • [ 66866-67-9 ]
  • [ 17694-98-3 ]
  • [ 60143-52-4 ]
Reference: [1] Journal of Natural Products, 2010, vol. 73, # 3, p. 352 - 358
  • 19
  • [ 1207348-78-4 ]
  • [ 473-81-4 ]
  • [ 1119-34-2 ]
  • [ 66866-67-9 ]
  • [ 17694-98-3 ]
  • [ 60143-52-4 ]
Reference: [1] Journal of Natural Products, 2010, vol. 73, # 3, p. 352 - 358
  • 20
  • [ 1119-34-2 ]
  • [ 3184-13-2 ]
  • [ 57-13-6 ]
Reference: [1] Journal of Chemical Thermodynamics, 1993, vol. 25, # 2, p. 293 - 305
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