Home Cart 0 Sign in  
X

[ CAS No. 2942-15-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 2942-15-6
Chemical Structure| 2942-15-6
Chemical Structure| 2942-15-6
Structure of 2942-15-6 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 2942-15-6 ]

Related Doc. of [ 2942-15-6 ]

Alternatived Products of [ 2942-15-6 ]

Product Details of [ 2942-15-6 ]

CAS No. :2942-15-6 MDL No. :MFCD01325556
Formula : C8H7NS Boiling Point : -
Linear Structure Formula :- InChI Key :IVKILQAPNDCUNJ-UHFFFAOYSA-N
M.W : 149.21 Pubchem ID :3745455
Synonyms :

Calculated chemistry of [ 2942-15-6 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.12
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.59
TPSA : 41.13 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.53 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.08
Log Po/w (XLOGP3) : 2.37
Log Po/w (WLOGP) : 2.6
Log Po/w (MLOGP) : 1.84
Log Po/w (SILICOS-IT) : 3.65
Consensus Log Po/w : 2.51

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.92
Solubility : 0.178 mg/ml ; 0.00119 mol/l
Class : Soluble
Log S (Ali) : -2.87
Solubility : 0.199 mg/ml ; 0.00134 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.34
Solubility : 0.0687 mg/ml ; 0.00046 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.74

Safety of [ 2942-15-6 ]

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

Application In Synthesis of [ 2942-15-6 ]

* 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 [ 2942-15-6 ]
  • Downstream synthetic route of [ 2942-15-6 ]

[ 2942-15-6 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 2942-15-6 ]
  • [ 3622-35-3 ]
Reference: [1] Zhurnal Obshchei Khimii, 1950, vol. 20, p. 1191,1195; engl. Ausg. S. 1235, 1239
  • 2
  • [ 2942-15-6 ]
  • [ 124-38-9 ]
  • [ 3507-18-4 ]
Reference: [1] Organic Letters, 2010, vol. 12, # 15, p. 3567 - 3569
[2] Organic Letters, 2012, vol. 14, # 15, p. 3986 - 3989
  • 3
  • [ 2942-15-6 ]
  • [ 73931-63-2 ]
Reference: [1] Zhurnal Obshchei Khimii, 1950, vol. 20, p. 1191,1195; engl. Ausg. S. 1235, 1239
Same Skeleton Products
Historical Records