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[ CAS No. 149204-93-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 149204-93-3
Chemical Structure| 149204-93-3
Structure of 149204-93-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 149204-93-3 ]

CAS No. :149204-93-3 MDL No. :MFCD30533782
Formula : C20H20N2O5 Boiling Point : -
Linear Structure Formula :- InChI Key :GCQNMZCRYMMHTM-KRWDZBQOSA-N
M.W : 368.38 Pubchem ID :95565906
Synonyms :

Calculated chemistry of [ 149204-93-3 ]

Physicochemical Properties

Num. heavy atoms : 27
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.25
Num. rotatable bonds : 9
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 97.79
TPSA : 104.73 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.17 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.92
Log Po/w (XLOGP3) : 1.94
Log Po/w (WLOGP) : 2.11
Log Po/w (MLOGP) : 1.5
Log Po/w (SILICOS-IT) : 2.11
Consensus Log Po/w : 1.92

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -3.08
Solubility : 0.306 mg/ml ; 0.00083 mol/l
Class : Soluble
Log S (Ali) : -3.76
Solubility : 0.0635 mg/ml ; 0.000172 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.26
Solubility : 0.00201 mg/ml ; 0.00000545 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.63

Safety of [ 149204-93-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 149204-93-3 ]

* 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 [ 149204-93-3 ]

[ 149204-93-3 ] Synthesis Path-Downstream   1~3

  • 1
  • 2-(9<i>H</i>-fluoren-9-ylmethoxycarbonylamino)-<i>N</i>-methyl-succinamic acid <i>tert</i>-butyl ester [ No CAS ]
  • [ 149204-93-3 ]
  • 2
  • [ 149204-93-3 ]
  • [ 149525-65-5 ]
  • [1-methylcarbamoyl-2-(2,4,6-triethyl-3,5-bis-[3-(9<i>H</i>-fluoren-9-ylmethoxycarbonylamino)-3-methylcarbamoyl-propionylamino]-methyl}-benzylcarbamoyl)-ethyl]-carbamic acid 9<i>H</i>-fluoren-9-ylmethyl ester [ No CAS ]
  • 3
  • [ 129460-09-9 ]
  • [ 149204-93-3 ]
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