Home Cart 0 Sign in  

[ CAS No. 57808-65-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 57808-65-8
Chemical Structure| 57808-65-8
Structure of 57808-65-8 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 57808-65-8 ]

Related Doc. of [ 57808-65-8 ]

Alternatived Products of [ 57808-65-8 ]

Product Details of [ 57808-65-8 ]

CAS No. :57808-65-8 MDL No. :MFCD00661151
Formula : C22H14Cl2I2N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :JMPFSEBWVLAJKM-UHFFFAOYSA-N
M.W : 663.07 Pubchem ID :42574
Synonyms :
NSC 335306

Calculated chemistry of [ 57808-65-8 ]

Physicochemical Properties

Num. heavy atoms : 30
Num. arom. heavy atoms : 18
Fraction Csp3 : 0.09
Num. rotatable bonds : 5
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 137.11
TPSA : 73.12 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.22 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.63
Log Po/w (XLOGP3) : 7.22
Log Po/w (WLOGP) : 6.93
Log Po/w (MLOGP) : 5.71
Log Po/w (SILICOS-IT) : 7.56
Consensus Log Po/w : 6.21

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -8.61
Solubility : 0.00000161 mg/ml ; 0.0000000024 mol/l
Class : Poorly soluble
Log S (Ali) : -8.58
Solubility : 0.00000175 mg/ml ; 0.0000000026 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -10.12
Solubility : 0.0000000502 mg/ml ; 0.0000000001 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.22

Safety of [ 57808-65-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H317-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 57808-65-8 ]

* 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 [ 57808-65-8 ]
  • Downstream synthetic route of [ 57808-65-8 ]

[ 57808-65-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 123-91-1 ]
  • [ 42016-91-1 ]
  • [ 61437-85-2 ]
  • [ 57808-65-8 ]
Reference: [1] Patent: US4005218, 1977, A,
Same Skeleton Products
Historical Records

Similar Product of
[ 57808-65-8 ]

Chemical Structure| 1325559-20-3

A1269486[ 1325559-20-3 ]

Closantel-13C6

Reason: Stable Isotope