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. 935-13-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 935-13-7
Chemical Structure| 935-13-7
Structure of 935-13-7 * 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 [ 935-13-7 ]

Related Doc. of [ 935-13-7 ]

Alternatived Products of [ 935-13-7 ]
Product Citations

Product Details of [ 935-13-7 ]

CAS No. :935-13-7 MDL No. :MFCD00005346
Formula : C7H8O3 Boiling Point : -
Linear Structure Formula :- InChI Key :XLTJXJJMUFDQEZ-UHFFFAOYSA-N
M.W : 140.14 Pubchem ID :70286
Synonyms :

Calculated chemistry of [ 935-13-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.29
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 35.06
TPSA : 50.44 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.66 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.3
Log Po/w (XLOGP3) : 0.69
Log Po/w (WLOGP) : 1.3
Log Po/w (MLOGP) : 0.1
Log Po/w (SILICOS-IT) : 1.27
Consensus Log Po/w : 0.93

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.32
Solubility : 6.78 mg/ml ; 0.0484 mol/l
Class : Very soluble
Log S (Ali) : -1.33
Solubility : 6.61 mg/ml ; 0.0472 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.77
Solubility : 2.4 mg/ml ; 0.0171 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.97

Safety of [ 935-13-7 ]

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

Technical Information

Historical Records

Related Functional Groups of
[ 935-13-7 ]

Carboxylic Acids

Chemical Structure| 2745-26-8

[ 2745-26-8 ]

2-(Furan-2-yl)acetic acid

Similarity: 0.84

Chemical Structure| 62119-70-4

[ 62119-70-4 ]

2-Benzofuranacetic acid

Similarity: 0.70

Chemical Structure| 6342-77-4

[ 6342-77-4 ]

3-(2-Methoxyphenyl)propanoic acid

Similarity: 0.69

Chemical Structure| 6328-74-1

[ 6328-74-1 ]

4-Phenoxyphenylacetic Acid

Similarity: 0.67

Chemical Structure| 6547-53-1

[ 6547-53-1 ]

2-(4-(Benzyloxy)phenyl)acetic acid

Similarity: 0.66

Related Parent Nucleus of
[ 935-13-7 ]

Furans

Chemical Structure| 2745-26-8

[ 2745-26-8 ]

2-(Furan-2-yl)acetic acid

Similarity: 0.84

Chemical Structure| 3208-16-0

[ 3208-16-0 ]

2-Ethylfuran

Similarity: 0.76

Chemical Structure| 10599-59-4

[ 10599-59-4 ]

2-Isopropylfuran

Similarity: 0.70

Chemical Structure| 1192-62-7

[ 1192-62-7 ]

1-(Furan-2-yl)ethanone

Similarity: 0.67

Chemical Structure| 1193-79-9

[ 1193-79-9 ]

1-(5-Methylfuran-2-yl)ethanone

Similarity: 0.65

; ;