Home Cart 0 Sign in  

[ CAS No. 1662-01-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1662-01-7
Chemical Structure| 1662-01-7
Structure of 1662-01-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1662-01-7 ]

Related Doc. of [ 1662-01-7 ]

Alternatived Products of [ 1662-01-7 ]

Product Details of [ 1662-01-7 ]

CAS No. :1662-01-7 MDL No. :MFCD00004976
Formula : C24H16N2 Boiling Point : -
Linear Structure Formula :- InChI Key :DHDHJYNTEFLIHY-UHFFFAOYSA-N
M.W : 332.40 Pubchem ID :72812
Synonyms :
NSC 637659;BPhen
UV :272 nm (in THF)
FL :379 nm (in THF) Materials Type :Other OLED Materials

Calculated chemistry of [ 1662-01-7 ]

Physicochemical Properties

Num. heavy atoms : 26
Num. arom. heavy atoms : 26
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 107.92
TPSA : 25.78 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -4.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.98
Log Po/w (XLOGP3) : 5.71
Log Po/w (WLOGP) : 6.12
Log Po/w (MLOGP) : 4.28
Log Po/w (SILICOS-IT) : 5.99
Consensus Log Po/w : 5.02

Druglikeness

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

Water Solubility

Log S (ESOL) : -6.11
Solubility : 0.00026 mg/ml ; 0.000000783 mol/l
Class : Poorly soluble
Log S (Ali) : -6.02
Solubility : 0.000319 mg/ml ; 0.00000096 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -10.01
Solubility : 0.0000000326 mg/ml ; 0.0000000001 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.21

Safety of [ 1662-01-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1662-01-7 ]

* 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.

  • Upstream synthesis route of [ 1662-01-7 ]
  • Downstream synthetic route of [ 1662-01-7 ]

[ 1662-01-7 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 55484-55-4 ]
  • [ 936-59-4 ]
  • [ 1662-01-7 ]
Reference: [1] Journal of Organic Chemistry, 1955, vol. 20, p. 1330,1335
[2] Journal of Organic Chemistry, 1951, vol. 16, p. 1541,1544
  • 2
  • [ 936-59-4 ]
  • [ 1662-01-7 ]
Reference: [1] Journal of Organic Chemistry, 1951, vol. 16, p. 1541,1544
  • 3
  • [ 25771-65-7 ]
  • [ 1662-01-7 ]
Reference: [1] Journal of Organic Chemistry, 1951, vol. 16, p. 1541,1544
  • 4
  • [ 88-74-4 ]
  • [ 1662-01-7 ]
Reference: [1] Journal of Organic Chemistry, 1951, vol. 16, p. 1541,1544
Same Skeleton Products
Historical Records