Home Cart 0 Sign in  

[ CAS No. 484-20-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 484-20-8
Chemical Structure| 484-20-8
Structure of 484-20-8 * 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 [ 484-20-8 ]

Related Doc. of [ 484-20-8 ]

Alternatived Products of [ 484-20-8 ]
Product Citations

Product Details of [ 484-20-8 ]

CAS No. :484-20-8 MDL No. :MFCD00010272
Formula : C12H8O4 Boiling Point : No data available
Linear Structure Formula :C11H2O3(CH6O) InChI Key :BGEBZHIAGXMEMV-UHFFFAOYSA-N
M.W : 216.19 Pubchem ID :2355
Synonyms :
Bergapten
Chemical Name :4-Methoxy-7H-furo[3,2-g]chromen-7-one

Calculated chemistry of [ 484-20-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 13
Fraction Csp3 : 0.08
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 58.75
TPSA : 52.58 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.25 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.29
Log Po/w (XLOGP3) : 1.93
Log Po/w (WLOGP) : 2.55
Log Po/w (MLOGP) : 1.18
Log Po/w (SILICOS-IT) : 2.88
Consensus Log Po/w : 2.16

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.93
Solubility : 0.253 mg/ml ; 0.00117 mol/l
Class : Soluble
Log S (Ali) : -2.66
Solubility : 0.475 mg/ml ; 0.0022 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.63
Solubility : 0.00501 mg/ml ; 0.0000232 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.9

Safety of [ 484-20-8 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335-H351-H361 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 484-20-8 ]

* 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 [ 484-20-8 ]
  • Downstream synthetic route of [ 484-20-8 ]

[ 484-20-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 484-20-8 ]
  • [ 482-45-1 ]
Reference: [1] Organic and Biomolecular Chemistry, 2006, vol. 4, # 8, p. 1604 - 1610
Recommend Products
Same Skeleton Products
Historical Records
; ;