Home Cart 0 Sign in  
X

[ CAS No. 34759-34-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 34759-34-7
Chemical Structure| 34759-34-7
Chemical Structure| 34759-34-7
Structure of 34759-34-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 34759-34-7 ]

Related Doc. of [ 34759-34-7 ]

Alternatived Products of [ 34759-34-7 ]

Product Details of [ 34759-34-7 ]

CAS No. :34759-34-7 MDL No. :MFCD28963492
Formula : C14H20O2 Boiling Point : -
Linear Structure Formula :- InChI Key :NWAHZAIDMVNENC-UHFFFAOYSA-N
M.W :220.31 Pubchem ID :13782121
Synonyms :

Calculated chemistry of [ 34759-34-7 ]

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.79
Num. rotatable bonds : 3
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 63.88
TPSA : 26.3 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.92 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.14
Log Po/w (XLOGP3) : 3.84
Log Po/w (WLOGP) : 2.93
Log Po/w (MLOGP) : 3.19
Log Po/w (SILICOS-IT) : 2.6
Consensus Log Po/w : 3.14

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.43
Solubility : 0.0824 mg/ml ; 0.000374 mol/l
Class : Soluble
Log S (Ali) : -4.09
Solubility : 0.018 mg/ml ; 0.0000816 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -2.03
Solubility : 2.08 mg/ml ; 0.00942 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.56

Safety of [ 34759-34-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 34759-34-7 ]

Alkenyls

Chemical Structure| 177080-67-0

[ 177080-67-0 ]

2-Methyladamantan-2-yl methacrylate

Similarity: 0.95

Chemical Structure| 297156-50-4

[ 297156-50-4 ]

2-Isopropyladamantan-2-yl methacrylate

Similarity: 0.95

Chemical Structure| 209982-56-9

[ 209982-56-9 ]

2-Ethyladamantan-2-yl methacrylate

Similarity: 0.95

Chemical Structure| 16887-36-8

[ 16887-36-8 ]

Adamantan-1-yl methacrylate

Similarity: 0.92

Chemical Structure| 266308-58-1

[ 266308-58-1 ]

1-Ethylcyclopentyl methacrylate

Similarity: 0.92

Aliphatic Cyclic Hydrocarbons

Chemical Structure| 177080-67-0

[ 177080-67-0 ]

2-Methyladamantan-2-yl methacrylate

Similarity: 0.95

Chemical Structure| 297156-50-4

[ 297156-50-4 ]

2-Isopropyladamantan-2-yl methacrylate

Similarity: 0.95

Chemical Structure| 209982-56-9

[ 209982-56-9 ]

2-Ethyladamantan-2-yl methacrylate

Similarity: 0.95

Chemical Structure| 16887-36-8

[ 16887-36-8 ]

Adamantan-1-yl methacrylate

Similarity: 0.92

Chemical Structure| 266308-58-1

[ 266308-58-1 ]

1-Ethylcyclopentyl methacrylate

Similarity: 0.92

Esters

Chemical Structure| 177080-67-0

[ 177080-67-0 ]

2-Methyladamantan-2-yl methacrylate

Similarity: 0.95

Chemical Structure| 297156-50-4

[ 297156-50-4 ]

2-Isopropyladamantan-2-yl methacrylate

Similarity: 0.95

Chemical Structure| 209982-56-9

[ 209982-56-9 ]

2-Ethyladamantan-2-yl methacrylate

Similarity: 0.95

Chemical Structure| 16887-36-8

[ 16887-36-8 ]

Adamantan-1-yl methacrylate

Similarity: 0.92

Chemical Structure| 266308-58-1

[ 266308-58-1 ]

1-Ethylcyclopentyl methacrylate

Similarity: 0.92