Home Cart Sign in  

[ CAS No. 33892-75-0 ] 5-Methoxy-3,4-dihydronaphthalenone

Cat. No.: A329119
Chemical Structure| 33892-75-0
Chemical Structure| 33892-75-0
Structure of 33892-75-0 * Storage: Sealed in dry,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
98% 1g $11.00 Inquiry Inquiry
98% 5g $20.00 Inquiry Inquiry
98% 10g $36.00 Inquiry Inquiry
98% 25g $73.00 Inquiry Inquiry
98% 100g $274.00 Inquiry Inquiry

Quality Control of [ 33892-75-0 ]

Related Doc. of [ 33892-75-0 ]

Alternatived Products of [ 33892-75-0 ]
Product Citations

Product Details of [ 33892-75-0 ]

CAS No. :33892-75-0 MDL No. :MFCD00001692
Formula : C11H12O2 Boiling Point : -
Linear Structure Formula :C6H6OC4H3(OCH3) InChI Key :BRCPWISABURVIH-UHFFFAOYSA-N
M.W : 176.21 Pubchem ID :36620
Synonyms :

Calculated chemistry of [ 33892-75-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.36
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 50.79
TPSA : 26.3 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) : -5.63 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.16
Log Po/w (XLOGP3) : 2.46
Log Po/w (WLOGP) : 2.21
Log Po/w (MLOGP) : 1.64
Log Po/w (SILICOS-IT) : 3.0
Consensus Log Po/w : 2.29

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.76
Solubility : 0.308 mg/ml ; 0.00175 mol/l
Class : Soluble
Log S (Ali) : -2.66
Solubility : 0.389 mg/ml ; 0.00221 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.52
Solubility : 0.0532 mg/ml ; 0.000302 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.87

Safety of [ 33892-75-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 33892-75-0 ]

* 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.

  • Downstream synthetic route of [ 33892-75-0 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 33892-75-0 ]

Aryls

Chemical Structure| 33470-10-9

[ 33470-10-9 ]

2'-Methoxy-2-phenylacetophenone

Similarity: 0.96

Chemical Structure| 13336-31-7

[ 13336-31-7 ]

4-Methoxy-2,3-dihydro-1H-inden-1-one

Similarity: 0.96

Chemical Structure| 1685-84-3

[ 1685-84-3 ]

7-Methoxy-6-methyl-3,4-dihydronaphthalen-1(2H)-one

Similarity: 0.96

Chemical Structure| 34985-41-6

[ 34985-41-6 ]

7-Methoxy-2,3-dihydro-1H-inden-1-one

Similarity: 0.94

Chemical Structure| 6161-64-4

[ 6161-64-4 ]

1-(2-Methoxy-6-methylphenyl)ethanone

Similarity: 0.92

Ethers

Chemical Structure| 33470-10-9

[ 33470-10-9 ]

2'-Methoxy-2-phenylacetophenone

Similarity: 0.96

Chemical Structure| 13336-31-7

[ 13336-31-7 ]

4-Methoxy-2,3-dihydro-1H-inden-1-one

Similarity: 0.96

Chemical Structure| 1685-84-3

[ 1685-84-3 ]

7-Methoxy-6-methyl-3,4-dihydronaphthalen-1(2H)-one

Similarity: 0.96

Chemical Structure| 34985-41-6

[ 34985-41-6 ]

7-Methoxy-2,3-dihydro-1H-inden-1-one

Similarity: 0.94

Chemical Structure| 6161-64-4

[ 6161-64-4 ]

1-(2-Methoxy-6-methylphenyl)ethanone

Similarity: 0.92

Ketones

Chemical Structure| 33470-10-9

[ 33470-10-9 ]

2'-Methoxy-2-phenylacetophenone

Similarity: 0.96

Chemical Structure| 13336-31-7

[ 13336-31-7 ]

4-Methoxy-2,3-dihydro-1H-inden-1-one

Similarity: 0.96

Chemical Structure| 1685-84-3

[ 1685-84-3 ]

7-Methoxy-6-methyl-3,4-dihydronaphthalen-1(2H)-one

Similarity: 0.96

Chemical Structure| 34985-41-6

[ 34985-41-6 ]

7-Methoxy-2,3-dihydro-1H-inden-1-one

Similarity: 0.94

Chemical Structure| 6161-64-4

[ 6161-64-4 ]

1-(2-Methoxy-6-methylphenyl)ethanone

Similarity: 0.92

; ;