Home Cart 0 Sign in  

[ CAS No. 2303-01-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2303-01-7
Chemical Structure| 2303-01-7
Structure of 2303-01-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 2303-01-7 ]

Related Doc. of [ 2303-01-7 ]

Alternatived Products of [ 2303-01-7 ]

Product Details of [ 2303-01-7 ]

CAS No. :2303-01-7 MDL No. :MFCD00005871
Formula : C21H18O5S Boiling Point : -
Linear Structure Formula :- InChI Key :OLQIKGSZDTXODA-UHFFFAOYSA-N
M.W : 382.43 Pubchem ID :73030
Synonyms :

Calculated chemistry of [ 2303-01-7 ]

Physicochemical Properties

Num. heavy atoms : 27
Num. arom. heavy atoms : 18
Fraction Csp3 : 0.14
Num. rotatable bonds : 2
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 101.5
TPSA : 92.21 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.97 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.23
Log Po/w (XLOGP3) : 3.75
Log Po/w (WLOGP) : 4.7
Log Po/w (MLOGP) : 3.18
Log Po/w (SILICOS-IT) : 3.82
Consensus Log Po/w : 3.54

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.93
Solubility : 0.00444 mg/ml ; 0.0000116 mol/l
Class : Moderately soluble
Log S (Ali) : -5.38
Solubility : 0.0016 mg/ml ; 0.00000418 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -6.92
Solubility : 0.0000461 mg/ml ; 0.000000121 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.58

Safety of [ 2303-01-7 ]

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 [ 2303-01-7 ]

* 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.

  • Downstream synthetic route of [ 2303-01-7 ]

[ 2303-01-7 ] Synthesis Path-Downstream   1~6

  • 2
  • [ 34684-21-4 ]
  • [ 108-39-4 ]
  • [ 2303-01-7 ]
YieldReaction ConditionsOperation in experiment
With zinc(II) chloride at 105 - 110℃;
YieldReaction ConditionsOperation in experiment
With dihydrogen peroxide In water at 70℃; oxidative decolorization from red to colorless at pH 11;
YieldReaction ConditionsOperation in experiment
at 25℃;
at 25℃;
  • 5
  • [ 2303-01-7 ]
  • sodium hydroxide [ No CAS ]
  • [ 578-39-2 ]
  • 6
  • [ 108-39-4 ]
  • [ 81-07-2 ]
  • [ 2303-01-7 ]
YieldReaction ConditionsOperation in experiment
34% With sulfuric acid at 110℃; for 4h; Neat (no solvent);
Same Skeleton Products
Historical Records