Home Cart 0 Sign in  

[ CAS No. 501-36-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 501-36-0
Chemical Structure| 501-36-0
Structure of 501-36-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 501-36-0 ]

Related Doc. of [ 501-36-0 ]

Alternatived Products of [ 501-36-0 ]

Product Details of [ 501-36-0 ]

CAS No. :501-36-0 MDL No. :MFCD00133799
Formula : C14H12O3 Boiling Point : -
Linear Structure Formula :- InChI Key :LUKBXSAWLPMMSZ-OWOJBTEDSA-N
M.W : 228.24 Pubchem ID :445154
Synonyms :
trans-Resveratrol;SRT501;Vineatrol 20M.;Resvida;CA1201;RM1812;(E)-Resveratrol

Calculated chemistry of [ 501-36-0 ]

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 3.0
Molar Refractivity : 67.88
TPSA : 60.69 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.47 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.71
Log Po/w (XLOGP3) : 3.13
Log Po/w (WLOGP) : 2.76
Log Po/w (MLOGP) : 2.26
Log Po/w (SILICOS-IT) : 2.57
Consensus Log Po/w : 2.48

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.62
Solubility : 0.0551 mg/ml ; 0.000241 mol/l
Class : Soluble
Log S (Ali) : -4.07
Solubility : 0.0193 mg/ml ; 0.0000844 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.29
Solubility : 0.118 mg/ml ; 0.000516 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.02

Safety of [ 501-36-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P305+P351+P338 UN#:N/A
Hazard Statements:H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 501-36-0 ]

* 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 [ 501-36-0 ]
  • Downstream synthetic route of [ 501-36-0 ]

[ 501-36-0 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 501-36-0 ]
  • [ 26153-38-8 ]
  • [ 1332302-64-3 ]
  • [ 123-08-0 ]
Reference: [1] Organic Letters, 2011, vol. 13, # 18, p. 4846 - 4849
  • 2
  • [ 501-36-0 ]
  • [ 10083-24-6 ]
  • [ 26153-38-8 ]
  • [ 99-10-5 ]
  • [ 123-08-0 ]
Reference: [1] Rapid Communications in Mass Spectrometry, 2010, vol. 24, # 5, p. 634 - 642
[2] Biochimie, 2012, vol. 94, # 3, p. 741 - 747
  • 3
  • [ 501-36-0 ]
  • [ 26153-38-8 ]
  • [ 400608-32-4 ]
  • [ 123-08-0 ]
Reference: [1] Photochemical and Photobiological Sciences, 2013, vol. 12, # 4, p. 638 - 644
  • 4
  • [ 501-36-0 ]
  • [ 26153-38-8 ]
  • [ 400608-32-4 ]
  • [ 123-08-0 ]
Reference: [1] Photochemical and Photobiological Sciences, 2013, vol. 12, # 4, p. 638 - 644
Same Skeleton Products
Historical Records

Similar Product of
[ 501-36-0 ]

Chemical Structure| 1185247-70-4

A1230247[ 1185247-70-4 ]

Resveratrol-13C6

Reason: Stable Isotope