天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 16807-11-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 16807-11-7
Chemical Structure| 16807-11-7
Structure of 16807-11-7 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 16807-11-7 ]

Related Doc. of [ 16807-11-7 ]

Alternatived Products of [ 16807-11-7 ]
Product Citations

Product Details of [ 16807-11-7 ]

CAS No. :16807-11-7 MDL No. :MFCD18450164
Formula : C12H8BrN Boiling Point : No data available
Linear Structure Formula :- InChI Key :VCDOOGZTWDOHEB-UHFFFAOYSA-N
M.W : 246.10 Pubchem ID :11230335
Synonyms :

Calculated chemistry of [ 16807-11-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 13
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 0.0
Num. H-bond donors : 1.0
Molar Refractivity : 63.5
TPSA : 15.79 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -4.9 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.29
Log Po/w (XLOGP3) : 4.08
Log Po/w (WLOGP) : 4.08
Log Po/w (MLOGP) : 3.5
Log Po/w (SILICOS-IT) : 4.25
Consensus Log Po/w : 3.64

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.62
Solubility : 0.00586 mg/ml ; 0.0000238 mol/l
Class : Moderately soluble
Log S (Ali) : -4.12
Solubility : 0.0188 mg/ml ; 0.0000765 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.82
Solubility : 0.000375 mg/ml ; 0.00000152 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 1.49

Safety of [ 16807-11-7 ]

Signal Word:Warning Class:
Precautionary Statements:P305+P351+P338 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 16807-11-7 ]

* 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 [ 16807-11-7 ]

[ 16807-11-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 16732-66-4 ]
  • [ 16807-11-7 ]
  • 2
  • [ 16807-11-7 ]
  • [ 850568-47-7 ]
  • 3-amino-4-(9H-carbazol-1-yl)benzonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
29% With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In 1,4-dioxane; ethanol; water; at 90.0℃; for 2h;Inert atmosphere; Microwave irradiation; A degassed stirred solution of 1-bromo-9H-carbazole (213 mg, 0.86 mmol, 1 eq), (2-amino-4-cyanophenyl)boronic acid.HCl (189 mg, 0.95 mmol, 1.1 eq), Na2CO3 (275 mg, 2.60 mmol, 3 eq) and Pd(PPh3)4 (50 mg, 0.043 mmol, 0.05 eq) in a mixture of 1,4-Dioxane:EtOH:H2O (2.5 mL, 2:1:1, 0.5 M) under an inert N2 atmosphere was heated with microwave irradiation at 90C for 2 h. Following completion the crude mixture was concentrated onto silica gel and purified by Isolera Biotage LPLC (CH/EA 8:2) to give 56b (72 mg, 29 %) as a red solid. vmax (cm-1) 3477, 3328, 2230, 1614, 1413, 1316, 1237, 752, 619; 1H-NMR (400 MHz, DMSO-d6): deltaH 10.79 (s, 1H), 8.02 - 8.33 (m, 2H), 7.50 (d, J = 8.07 Hz, 1H), 7.38 (dt, J = 1.04, 7.61 Hz, 1H), 7.24 - 7.33 (m, 3H), 7.21 (d, J = 1.59 Hz, 1H), 7.13 - 7.19 (m, 1H), 7.09 (dd, J = 1.71, 7.70 Hz, 1H), 5.19 (s, 2H); 13C-NMR (100 MHz CDCl3): deltaC 146.7, 140.1, 137.1, 131.7, 127.3, 126.0, 125.6, 123.1, 122.4, 120.8, 120.1, 120.0, 119.5, 119.2, 118.9, 118.7, 117.3, 111.4, 110.8; LR-ESI-MS: C19H14N3 [M+H]+ m/z found 284.05, cald 284.12.
Recommend Products
Same Skeleton Products
Historical Records
; ;