Home Cart 0 Sign in  
X

[ CAS No. 16494-24-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 16494-24-9
Chemical Structure| 16494-24-9
Chemical Structure| 16494-24-9
Structure of 16494-24-9 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 16494-24-9 ]

Related Doc. of [ 16494-24-9 ]

Alternatived Products of [ 16494-24-9 ]

Product Details of [ 16494-24-9 ]

CAS No. :16494-24-9 MDL No. :MFCD00051359
Formula : C20H22O6 Boiling Point : -
Linear Structure Formula :- InChI Key :GIJIKFKGLZGENN-UHFFFAOYSA-N
M.W : 358.39 Pubchem ID :85456
Synonyms :

Calculated chemistry of [ 16494-24-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 26
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.3
Num. rotatable bonds : 11
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 96.54
TPSA : 71.06 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.88 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.02
Log Po/w (XLOGP3) : 5.08
Log Po/w (WLOGP) : 4.62
Log Po/w (MLOGP) : 3.43
Log Po/w (SILICOS-IT) : 4.03
Consensus Log Po/w : 4.24

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.88
Solubility : 0.00475 mg/ml ; 0.0000132 mol/l
Class : Moderately soluble
Log S (Ali) : -6.31
Solubility : 0.000174 mg/ml ; 0.000000484 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -6.12
Solubility : 0.000271 mg/ml ; 0.000000755 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 2.91

Safety of [ 16494-24-9 ]

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
Historical Records

Related Functional Groups of
[ 16494-24-9 ]

Aryls

Chemical Structure| 82200-53-1

[ 82200-53-1 ]

4-Methoxyphenyl 4-((6-(acryloyloxy)hexyl)oxy)benzoate

Similarity: 0.88

Chemical Structure| 51988-36-4

[ 51988-36-4 ]

3-(Propionyloxy)benzoic acid

Similarity: 0.86

Chemical Structure| 25458-44-0

[ 25458-44-0 ]

4-(Methoxymethoxy)benzoic acid

Similarity: 0.85

Chemical Structure| 23676-09-7

[ 23676-09-7 ]

Ethyl 4-ethoxybenzoate

Similarity: 0.85

Chemical Structure| 2345-34-8

[ 2345-34-8 ]

4-Acetoxybenzoic acid

Similarity: 0.85

Ethers

Chemical Structure| 82200-53-1

[ 82200-53-1 ]

4-Methoxyphenyl 4-((6-(acryloyloxy)hexyl)oxy)benzoate

Similarity: 0.88

Chemical Structure| 25458-44-0

[ 25458-44-0 ]

4-(Methoxymethoxy)benzoic acid

Similarity: 0.85

Chemical Structure| 23676-09-7

[ 23676-09-7 ]

Ethyl 4-ethoxybenzoate

Similarity: 0.85

Chemical Structure| 57830-14-5

[ 57830-14-5 ]

5-Phenoxyisobenzofuran-1(3H)-one

Similarity: 0.84

Chemical Structure| 4741-62-2

[ 4741-62-2 ]

5-Methoxyisobenzofuran-1(3H)-one

Similarity: 0.84

Esters

Chemical Structure| 82200-53-1

[ 82200-53-1 ]

4-Methoxyphenyl 4-((6-(acryloyloxy)hexyl)oxy)benzoate

Similarity: 0.88

Chemical Structure| 51988-36-4

[ 51988-36-4 ]

3-(Propionyloxy)benzoic acid

Similarity: 0.86

Chemical Structure| 23676-09-7

[ 23676-09-7 ]

Ethyl 4-ethoxybenzoate

Similarity: 0.85

Chemical Structure| 2345-34-8

[ 2345-34-8 ]

4-Acetoxybenzoic acid

Similarity: 0.85

Chemical Structure| 57830-14-5

[ 57830-14-5 ]

5-Phenoxyisobenzofuran-1(3H)-one

Similarity: 0.84