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. 4504-87-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 4504-87-4
Chemical Structure| 4504-87-4
Structure of 4504-87-4 * 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 [ 4504-87-4 ]

Related Doc. of [ 4504-87-4 ]

Alternatived Products of [ 4504-87-4 ]
Product Citations

Product Details of [ 4504-87-4 ]

CAS No. :4504-87-4 MDL No. :MFCD00963963
Formula : C14H10O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :YUSHFLBKQQILNV-UHFFFAOYSA-N
M.W : 210.23 Pubchem ID :78259
Synonyms :
Chemical Name :Dibenzo[b,e]oxepin-11(6H)-one

Calculated chemistry of [ 4504-87-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.07
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 60.85
TPSA : 26.3 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.52 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.3
Log Po/w (XLOGP3) : 2.9
Log Po/w (WLOGP) : 2.66
Log Po/w (MLOGP) : 2.21
Log Po/w (SILICOS-IT) : 3.51
Consensus Log Po/w : 2.71

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.53
Solubility : 0.0627 mg/ml ; 0.000298 mol/l
Class : Soluble
Log S (Ali) : -3.11
Solubility : 0.162 mg/ml ; 0.000771 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.1
Solubility : 0.00167 mg/ml ; 0.00000793 mol/l
Class : Moderately soluble

Medicinal Chemistry

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

Safety of [ 4504-87-4 ]

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

Technical Information

Historical Records

Related Functional Groups of
[ 4504-87-4 ]

Ketones

Chemical Structure| 196597-78-1

[ 196597-78-1 ]

1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-one

Similarity: 0.92

Chemical Structure| 29682-12-0

[ 29682-12-0 ]

1-(4-(Benzyloxy)-2-hydroxyphenyl)ethanone

Similarity: 0.92

Chemical Structure| 33470-10-9

[ 33470-10-9 ]

2'-Methoxy-2-phenylacetophenone

Similarity: 0.92

Chemical Structure| 448964-30-5

[ 448964-30-5 ]

5,6-Dihydro-2H-indeno[5,6-b]furan-7(3H)-one

Similarity: 0.91

Chemical Structure| 76240-27-2

[ 76240-27-2 ]

7-Hydroxychroman-4-one

Similarity: 0.91

Related Parent Nucleus of
[ 4504-87-4 ]

Other Aromatic Heterocycles

Chemical Structure| 196597-78-1

[ 196597-78-1 ]

1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-one

Similarity: 0.92

Chemical Structure| 76240-27-2

[ 76240-27-2 ]

7-Hydroxychroman-4-one

Similarity: 0.91

Chemical Structure| 35212-22-7

[ 35212-22-7 ]

7-Isopropoxy-3-phenyl-4H-chromen-4-one

Similarity: 0.86

Chemical Structure| 17422-74-1

[ 17422-74-1 ]

4-Oxo-4H-chromene-3-carbaldehyde

Similarity: 0.86

Chemical Structure| 480-40-0

[ 480-40-0 ]

5,7-Dihydroxy-2-phenyl-4H-chromen-4-one

Similarity: 0.86

; ;