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49763-96-4,MFCD00017192
Catalog No.:AA00D8XV

49763-96-4 | (1E)-1-(2H-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
98%
in stock  
$6.00   $4.00
- +
10mg
98%
in stock  
$8.00   $6.00
- +
25mg
98%
in stock  
$11.00   $8.00
- +
50mg
98%
in stock  
$14.00   $10.00
- +
500mg
95%
in stock  
$24.00   $17.00
- +
1g
95%
in stock  
$34.00   $24.00
- +
2g
95%
in stock  
$62.00   $43.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00D8XV
Chemical Name:
(1E)-1-(2H-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol
CAS Number:
49763-96-4
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
MDL Number:
MFCD00017192
SMILES:
OC(C(C)(C)C)/C=C/c1ccc2c(c1)OCO2
Properties
Computed Properties
 
Complexity:
280  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.6  

Downstream Synthesis Route

[1]ACSCatalysis,2018,vol.8,p.3030-3034

[1]Chen,Yixin;Wang,Yurong;Zhong,Rong;Li,Jinshan[JournalofOrganicChemistry,2020,vol.85,#16,p.10638-10647]

[1]Sudrik,Vilas;Bodkhe,Arjun;Karpe,Dnyaneshwar;Lawande,Shamrao[OrientalJournalofChemistry,2022,vol.38,#6,p.1414-1418]

[2]Sudrik,Vilas;Bodkhe,Arjun;Karpe,Dnyaneshwar;Lawande,Shamrao[OrientalJournalofChemistry,2022,vol.38,#6,p.1414-1418]

[1]Sudrik,Vilas;Bodkhe,Arjun;Karpe,Dnyaneshwar;Lawande,Shamrao[OrientalJournalofChemistry,2022,vol.38,#6,p.1414-1418]

[2]Sudrik,Vilas;Bodkhe,Arjun;Karpe,Dnyaneshwar;Lawande,Shamrao[OrientalJournalofChemistry,2022,vol.38,#6,p.1414-1418]

Literature

Title: Giraud C, et al. In vitro and in vivo inhibitory effect of stiripentol on clobazam metabolism.Drug Metab Dispos. 2006 Apr;34(4):608-11. Epub 2006 Jan 13.

Title: Cao D, et al. Efficacy of stiripentol in hyperthermia-induced seizures in a mouse model of Dravet syndrome. Epilepsia. 2012 Jul;53(7):1140-5.

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SDS
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Tags:49763-96-4 Molecular Formula|49763-96-4 MDL|49763-96-4 SMILES|49763-96-4 (1E)-1-(2H-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol