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. 79887-09-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 79887-09-5
Chemical Structure| 79887-09-5
Structure of 79887-09-5 * 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 [ 79887-09-5 ]

Related Doc. of [ 79887-09-5 ]

Alternatived Products of [ 79887-09-5 ]
Product Citations

Product Details of [ 79887-09-5 ]

CAS No. :79887-09-5 MDL No. :MFCD00173885
Formula : C12H14 Boiling Point : -
Linear Structure Formula :C4H9C6H4CCH InChI Key :ZVWWYEHVIRMJIE-UHFFFAOYSA-N
M.W : 158.24 Pubchem ID :2775132
Synonyms :
Chemical Name :4-Butylphenylacetylene

Calculated chemistry of [ 79887-09-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 3
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 53.76
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.33 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.87
Log Po/w (XLOGP3) : 4.13
Log Po/w (WLOGP) : 3.09
Log Po/w (MLOGP) : 4.96
Log Po/w (SILICOS-IT) : 4.0
Consensus Log Po/w : 3.81

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.59
Solubility : 0.0402 mg/ml ; 0.000254 mol/l
Class : Soluble
Log S (Ali) : -3.84
Solubility : 0.023 mg/ml ; 0.000146 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.07
Solubility : 0.0135 mg/ml ; 0.0000855 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 1.71

Safety of [ 79887-09-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 79887-09-5 ]

* 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 [ 79887-09-5 ]

[ 79887-09-5 ] Synthesis Path-Downstream   1~9

  • 1
  • [ 20651-67-6 ]
  • [ 79887-09-5 ]
  • 2
  • [ 20651-67-6 ]
  • [ 79887-09-5 ]
  • [ 1469444-96-9 ]
  • [ 1469445-26-8 ]
  • 3
  • [ 20651-67-6 ]
  • [ 79887-09-5 ]
  • [ 80221-11-0 ]
  • 4
  • [ 13438-50-1 ]
  • [ 79887-09-5 ]
  • C28H22 [ No CAS ]
  • 5
  • [ 13438-50-1 ]
  • [ 79887-09-5 ]
  • C28H22S [ No CAS ]
  • 6
  • [ 1732-26-9 ]
  • [ 79887-09-5 ]
  • C28H22 [ No CAS ]
  • 7
  • [ 1732-26-9 ]
  • [ 79887-09-5 ]
  • C28H22S [ No CAS ]
  • 8
  • [ 175278-30-5 ]
  • [ 79887-09-5 ]
  • 1-bromo-3-ethyl-4-(4-n-butylphenylethynyl)benzene [ No CAS ]
YieldReaction ConditionsOperation in experiment
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 20℃; for 2h; First, 65 g (209 mmol) of <strong>[175278-30-5]1-iodo-2-ethyl-4-bromobenzene</strong> and 38 g (226 mmol) of 4-n-butylphenylacetylene were introduced into 300 ml of NEt3, 1 g (5.3 mmol) of copper (I) iodide 3.6 g (5.1 mmol) bis (triphenylphosphine) palladium (II) chloride, and the mixture was stirred at room temperature for 2 hours. The batch was cooled, water and heptane were added, and the phases were separated. The organic phase is washed with saturated sodium chloride solution, dried over sodium sulfate, filtered and evaporated on a rotary evaporator. The residue was purified by column chromatography (SiO2, heptane); the product was obtained as a colorless oil.
  • 9
  • [ 20651-67-6 ]
  • [ 1066-54-2 ]
  • [ 79887-09-5 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;