Home Cart 0 Sign in  

[ CAS No. 131833-93-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 131833-93-7
Chemical Structure| 131833-93-7
Structure of 131833-93-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 131833-93-7 ]

Related Doc. of [ 131833-93-7 ]

Alternatived Products of [ 131833-93-7 ]

Product Details of [ 131833-93-7 ]

CAS No. :131833-93-7 MDL No. :MFCD00192243
Formula : C17H30N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :DPMGLJUMNRDNMX-VXGBXAGGSA-N
M.W : 294.43 Pubchem ID :688208
Synonyms :

Calculated chemistry of [ 131833-93-7 ]

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.88
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 95.02
TPSA : 43.18 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.28 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.84
Log Po/w (XLOGP3) : 3.96
Log Po/w (WLOGP) : 2.94
Log Po/w (MLOGP) : 3.02
Log Po/w (SILICOS-IT) : 4.75
Consensus Log Po/w : 3.7

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.9
Solubility : 0.0374 mg/ml ; 0.000127 mol/l
Class : Soluble
Log S (Ali) : -4.57
Solubility : 0.00797 mg/ml ; 0.0000271 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.86
Solubility : 0.0405 mg/ml ; 0.000137 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 5.03

Safety of [ 131833-93-7 ]

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 [ 131833-93-7 ]

* 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 [ 131833-93-7 ]
  • Downstream synthetic route of [ 131833-93-7 ]

[ 131833-93-7 ] Synthesis Path-Upstream   1~11

  • 1
  • [ 132098-54-5 ]
  • [ 74-88-4 ]
  • [ 131833-93-7 ]
Reference: [1] Journal of Organic Chemistry, 2000, vol. 65, # 18, p. 5875 - 5878
[2] Advanced Synthesis and Catalysis, 2008, vol. 350, # 7-8, p. 1023 - 1045
  • 2
  • [ 7321-55-3 ]
  • [ 112245-13-3 ]
  • [ 131833-93-7 ]
Reference: [1] Synlett, 2005, # 15, p. 2321 - 2324
  • 3
  • [ 141-43-5 ]
  • [ 131833-93-7 ]
Reference: [1] Tetrahedron Asymmetry, 2006, vol. 17, # 15, p. 2270 - 2275
  • 4
  • [ 5659-93-8 ]
  • [ 131833-93-7 ]
Reference: [1] Journal of Organic Chemistry, 1998, vol. 63, # 13, p. 4541 - 4544
  • 5
  • [ 595-46-0 ]
  • [ 131833-93-7 ]
Reference: [1] Journal of Organic Chemistry, 1998, vol. 63, # 13, p. 4541 - 4544
  • 6
  • [ 2749-11-3 ]
  • [ 7321-55-3 ]
  • [ 112245-13-3 ]
  • [ 181708-51-0 ]
  • [ 131833-93-7 ]
Reference: [1] Tetrahedron Asymmetry, 2006, vol. 17, # 15, p. 2270 - 2275
  • 7
  • [ 7321-55-3 ]
  • [ 58577-87-0 ]
  • [ 112245-13-3 ]
  • [ 131833-93-7 ]
Reference: [1] Tetrahedron Asymmetry, 2006, vol. 17, # 15, p. 2270 - 2275
  • 8
  • [ 7321-55-3 ]
  • [ 131833-93-7 ]
Reference: [1] Tetrahedron Asymmetry, 2006, vol. 17, # 15, p. 2270 - 2275
  • 9
  • [ 112245-13-3 ]
  • [ 131833-93-7 ]
Reference: [1] Tetrahedron Asymmetry, 2006, vol. 17, # 15, p. 2270 - 2275
  • 10
  • [ 7321-55-3 ]
  • [ 3182-95-4 ]
  • [ 112245-13-3 ]
  • [ 131833-93-7 ]
  • [ 176706-98-2 ]
Reference: [1] Tetrahedron Asymmetry, 2006, vol. 17, # 15, p. 2270 - 2275
  • 11
  • [ 7321-55-3 ]
  • [ 20989-17-7 ]
  • [ 112245-13-3 ]
  • [ 131457-46-0 ]
  • [ 131833-93-7 ]
Reference: [1] Tetrahedron Asymmetry, 2006, vol. 17, # 15, p. 2270 - 2275
Same Skeleton Products
Historical Records

Similar Product of
[ 131833-93-7 ]

Chemical Structure| 131833-97-1

A467812[ 131833-97-1 ]

(4R,4'R)-2,2'-(Propane-2,2-diyl)bis(4-(tert-butyl)-4,5-dihydrooxazole)

Reason: Optical isomers