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. 54258-41-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 54258-41-2
Chemical Structure| 54258-41-2
Structure of 54258-41-2 * 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 [ 54258-41-2 ]

Related Doc. of [ 54258-41-2 ]

Alternatived Products of [ 54258-41-2 ]
Product Citations

Product Details of [ 54258-41-2 ]

CAS No. :54258-41-2 MDL No. :MFCD00455733
Formula : C12H9N3 Boiling Point : No data available
Linear Structure Formula :(NC5H3)2CHCNH2 InChI Key :DKPSSMOJHLISJI-UHFFFAOYSA-N
M.W : 195.22 Pubchem ID :606970
Synonyms :

Calculated chemistry of [ 54258-41-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 14
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 61.45
TPSA : 51.8 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.23 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.29
Log Po/w (XLOGP3) : 1.78
Log Po/w (WLOGP) : 2.37
Log Po/w (MLOGP) : 1.25
Log Po/w (SILICOS-IT) : 2.23
Consensus Log Po/w : 1.78

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.86
Solubility : 0.268 mg/ml ; 0.00137 mol/l
Class : Soluble
Log S (Ali) : -2.49
Solubility : 0.637 mg/ml ; 0.00327 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.65
Solubility : 0.00439 mg/ml ; 0.0000225 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.6

Safety of [ 54258-41-2 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P305+P351+P338 UN#:
Hazard Statements:H302-H312-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 54258-41-2 ]

* 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 [ 54258-41-2 ]

[ 54258-41-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 54258-41-2 ]
  • [ 99970-84-0 ]
  • C36H22N8 [ No CAS ]
YieldReaction ConditionsOperation in experiment
78% In ethanol; at 80℃; for 12h; A mixture of 4,4'-diformyl-2,2'-bipyridine (234 mg,1.10 mmol) and 5-amino-1,10-phenanthroline (669 mg,3.43 mmol) in ethanol (50 mL) was heated to 80 C for12 h, giving a suspension. The reaction mixture was filtered hot, and the solid was washed with hot ethanol, affording the desired product as a yellow solid. Yield:486 mg (78 %). ESI-MS: m/z = 567.4 (M + H)+. 1HNMR (400 MHz, CDCl3): d = 7.68 (dd, J = 8.0, 4.8 Hz,2H), 7.74 (dd, J = 8.0, 4.4 Hz, 2H), 8.07 (dd, J = 5.2,1.2 Hz, 2H), 8.29 (dd, J = 2.8, 1.6 Hz, 2H), 8.31 (dd,J = 3.2, 1.6 Hz, 2H), 8.83 (dd, J = 8.4, 1.6 Hz, 2H), 8.88(s, 2H), 8.98 (d, J = 4.8 Hz, 2H), 9.07 (s, 2H), 9.19 (dd,J = 4.4, 2.0 Hz, 2H), 9.28 (dd, J = 4.4, 2.0 Hz, 2H). IR numax (KBr, cm-1): 3417 (br), 1628m, 1597s, 1554m,1505w, 1424m, 1383s, 1297w, 1206w, 1143w, 1062m,987w, 805w, 741s, 708w, 623w, 541w. Found: C 76.0, H3.8, N 19.7; Calcd for C36H22N8: C 76.3, H 3.9, N 19.8 %.
  • 2
  • [ 54258-41-2 ]
  • [ 99970-84-0 ]
  • N,N'-(2,2'-bipyridine-4,4'-diylbis(methylene))bis(1,10-phenanthrolin-5-amine) [ No CAS ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;