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[ CAS No. 306-67-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 306-67-2
Chemical Structure| 306-67-2
Structure of 306-67-2 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 306-67-2 ]

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Product Details of [ 306-67-2 ]

CAS No. :306-67-2 MDL No. :MFCD00012914
Formula : C10H30Cl4N4 Boiling Point : -
Linear Structure Formula :- InChI Key :XLDKUDAXZWHPFH-UHFFFAOYSA-N
M.W : 348.18 Pubchem ID :9384
Synonyms :
Spermine tetrahydrochloride

Calculated chemistry of [ 306-67-2 ]

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 11
Num. H-bond acceptors : 4.0
Num. H-bond donors : 4.0
Molar Refractivity : 89.06
TPSA : 76.1 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.92 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.12
Log Po/w (WLOGP) : 2.85
Log Po/w (MLOGP) : 1.29
Log Po/w (SILICOS-IT) : 0.58
Consensus Log Po/w : 1.37

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.61
Solubility : 0.858 mg/ml ; 0.00246 mol/l
Class : Soluble
Log S (Ali) : -3.35
Solubility : 0.156 mg/ml ; 0.000447 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.32
Solubility : 0.167 mg/ml ; 0.00048 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.15

Safety of [ 306-67-2 ]

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

Application In Synthesis of [ 306-67-2 ]

* 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 [ 306-67-2 ]
  • Downstream synthetic route of [ 306-67-2 ]

[ 306-67-2 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 477808-23-4 ]
  • [ 306-67-2 ]
Reference: [1] Synthetic Communications, 2002, vol. 32, # 16, p. 2441 - 2452
  • 2
  • [ 477808-25-6 ]
  • [ 306-67-2 ]
Reference: [1] Synthetic Communications, 2002, vol. 32, # 16, p. 2441 - 2452
  • 3
  • [ 71-44-3 ]
  • [ 306-67-2 ]
Reference: [1] Synthetic Communications, 2002, vol. 32, # 16, p. 2441 - 2452
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