Home Cart Sign in  

[ CAS No. 340825-13-0 ] 6-Iodo-3,4-dihydronaphthalen-1(2H)-one

Cat. No.: A261860
Chemical Structure| 340825-13-0
Chemical Structure| 340825-13-0
Structure of 340825-13-0 * Storage: Keep in dark place,Sealed in dry,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
98% 250mg $20.00 Inquiry Inquiry
98% 1g $33.00 Inquiry Inquiry
98% 5g $164.00 Inquiry Inquiry
98% 25g $574.00 Inquiry Inquiry

Search after Editing

* Storage: Keep in dark place,Sealed in dry,Room Temperature

* Shipping: Normal

Quality Control of [ 340825-13-0 ]

Related Doc. of [ 340825-13-0 ]

Alternatived Products of [ 340825-13-0 ]
Product Citations

Product Details of [ 340825-13-0 ]

CAS No. :340825-13-0 MDL No. :MFCD09751536
Formula : C10H9IO Boiling Point : -
Linear Structure Formula :- InChI Key :TUMAMZXVZVEYLU-UHFFFAOYSA-N
M.W : 272.08 Pubchem ID :45489800
Synonyms :

Calculated chemistry of [ 340825-13-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.3
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 57.01
TPSA : 17.07 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.06 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.25
Log Po/w (XLOGP3) : 2.67
Log Po/w (WLOGP) : 2.81
Log Po/w (MLOGP) : 2.85
Log Po/w (SILICOS-IT) : 3.97
Consensus Log Po/w : 2.91

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.58
Solubility : 0.0717 mg/ml ; 0.000264 mol/l
Class : Soluble
Log S (Ali) : -2.68
Solubility : 0.568 mg/ml ; 0.00209 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.34
Solubility : 0.0123 mg/ml ; 0.0000452 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.03

Safety of [ 340825-13-0 ]

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:
Recommend Products
Same Skeleton Products

Technical Information

• Alkyl Halide Occurrence • Baeyer-Villiger Oxidation • Barbier Coupling Reaction • Baylis-Hillman Reaction • Benzylic Oxidation • Birch Reduction • Blanc Chloromethylation • Bucherer-Bergs Reaction • Clemmensen Reduction • Corey-Bakshi-Shibata (CBS) Reduction • Corey-Chaykovsky Reaction • Fischer Indole Synthesis • Friedel-Crafts Reaction • General Reactivity • Grignard Reaction • Henry Nitroaldol Reaction • Hiyama Cross-Coupling Reaction • Horner-Wadsworth-Emmons Reaction • Hydride Reductions • Hydrogenolysis of Benzyl Ether • Kinetics of Alkyl Halides • Lawesson's Reagent • Leuckart-Wallach Reaction • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Passerini Reaction • Paternò-Büchi Reaction • Petasis Reaction • Peterson Olefination • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Aldehydes and Ketones • Preparation of Alkylbenzene • Preparation of Amines • Prins Reaction • Reactions of Aldehydes and Ketones • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Dihalides • Reformatsky Reaction • Robinson Annulation • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Stobbe Condensation • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Tebbe Olefination • Ugi Reaction • Vilsmeier-Haack Reaction • Wittig Reaction • Wolff-Kishner Reduction
Historical Records

Related Functional Groups of
[ 340825-13-0 ]

Aryls

Chemical Structure| 14548-40-4

[ 14548-40-4 ]

6-Iodo-1-indanone

Similarity: 0.95

Chemical Structure| 511533-38-3

[ 511533-38-3 ]

5-Iodo-2,3-dihydro-1H-inden-1-one

Similarity: 0.95

Chemical Structure| 31970-26-0

[ 31970-26-0 ]

1-(4-Iodophenyl)propan-1-one

Similarity: 0.93

Chemical Structure| 14452-30-3

[ 14452-30-3 ]

1-(3-Iodophenyl)ethanone

Similarity: 0.93

Chemical Structure| 6136-66-9

[ 6136-66-9 ]

(4-Iodophenyl)(phenyl)methanone

Similarity: 0.90

Ketones

Chemical Structure| 14548-40-4

[ 14548-40-4 ]

6-Iodo-1-indanone

Similarity: 0.95

Chemical Structure| 511533-38-3

[ 511533-38-3 ]

5-Iodo-2,3-dihydro-1H-inden-1-one

Similarity: 0.95

Chemical Structure| 31970-26-0

[ 31970-26-0 ]

1-(4-Iodophenyl)propan-1-one

Similarity: 0.93

Chemical Structure| 14452-30-3

[ 14452-30-3 ]

1-(3-Iodophenyl)ethanone

Similarity: 0.93

Chemical Structure| 6136-66-9

[ 6136-66-9 ]

(4-Iodophenyl)(phenyl)methanone

Similarity: 0.90

; ;