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[ CAS No. 73463-39-5 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 73463-39-5
Chemical Structure| 73463-39-5
Chemical Structure| 73463-39-5
Structure of 73463-39-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 73463-39-5 ]

CAS No. :73463-39-5 MDL No. :MFCD00041778
Formula : C9H19NO4S Boiling Point : -
Linear Structure Formula :- InChI Key :INEWUCPYEUEQTN-UHFFFAOYSA-N
M.W : 237.32 Pubchem ID :2733480
Synonyms :
Chemical Name :3-(Cyclohexylamino)-2-hydroxy-1-propanesulfonic acid

Calculated chemistry of [ 73463-39-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 5
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 57.76
TPSA : 95.01 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) : -9.46 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.23
Log Po/w (XLOGP3) : -2.41
Log Po/w (WLOGP) : 1.24
Log Po/w (MLOGP) : 0.03
Log Po/w (SILICOS-IT) : -0.23
Consensus Log Po/w : -0.03

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.54
Solubility : 817.0 mg/ml ; 3.44 mol/l
Class : Highly soluble
Log S (Ali) : 0.95
Solubility : 2140.0 mg/ml ; 9.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -1.01
Solubility : 23.2 mg/ml ; 0.0979 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.12

Safety of [ 73463-39-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 73463-39-5 ]

* 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 [ 73463-39-5 ]

[ 73463-39-5 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 2052-49-5 ]
  • [ 73463-39-5 ]
  • tetrabutylammonium 3-(cyclohexylamino)-2-hydroxypropanesulfonate [ No CAS ]
  • 2
  • [ 14518-69-5 ]
  • [ 73463-39-5 ]
  • tetrabutylphosphonium 3-(cyclohexylamino)-2-hydroxypropanesulfonate [ No CAS ]
  • 3
  • [ 123-41-1 ]
  • [ 73463-39-5 ]
  • cholinium 3-(cyclohexylamino)-2-hydroxypropanesulfonate [ No CAS ]
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