Home Cart 0 Sign in  
X

[ CAS No. 1700265-02-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1700265-02-6
Chemical Structure| 1700265-02-6
Chemical Structure| 1700265-02-6
Structure of 1700265-02-6 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1700265-02-6 ]

Related Doc. of [ 1700265-02-6 ]

Alternatived Products of [ 1700265-02-6 ]

Product Details of [ 1700265-02-6 ]

CAS No. :1700265-02-6 MDL No. :MFCD24539372
Formula : C8H7BrF2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :YEDAIBIZPKMFIH-UHFFFAOYSA-N
M.W : 253.04 Pubchem ID :92045728
Synonyms :

Calculated chemistry of [ 1700265-02-6 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 47.04
TPSA : 18.46 Ų

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) : -5.88 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.47
Log Po/w (XLOGP3) : 2.76
Log Po/w (WLOGP) : 3.58
Log Po/w (MLOGP) : 3.05
Log Po/w (SILICOS-IT) : 3.36
Consensus Log Po/w : 3.04

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.36
Solubility : 0.111 mg/ml ; 0.000439 mol/l
Class : Soluble
Log S (Ali) : -2.8
Solubility : 0.398 mg/ml ; 0.00157 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.07
Solubility : 0.0216 mg/ml ; 0.0000855 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.01

Safety of [ 1700265-02-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P270-P301+P312-P330 UN#:N/A
Hazard Statements:H302-H315-H320-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 1700265-02-6 ]

Fluorinated Building Blocks

Chemical Structure| 1804403-69-7

[ 1804403-69-7 ]

1-Bromo-3,5-dimethoxy-2-fluorobenzene

Similarity: 0.98

Chemical Structure| 221221-00-7

[ 221221-00-7 ]

1-Bromo-2,4-difluoro-3-methoxybenzene

Similarity: 0.98

Chemical Structure| 202865-60-9

[ 202865-60-9 ]

1-Bromo-2,5-difluoro-4-methoxybenzene

Similarity: 0.95

Chemical Structure| 1804403-69-7

[ 1804403-69-7 ]

1-Bromo-3,5-dimethoxy-2-fluorobenzene

Similarity: 0.98

Chemical Structure| 221221-00-7

[ 221221-00-7 ]

1-Bromo-2,4-difluoro-3-methoxybenzene

Similarity: 0.98

Aryls

Chemical Structure| 1804403-69-7

[ 1804403-69-7 ]

1-Bromo-3,5-dimethoxy-2-fluorobenzene

Similarity: 0.98

Chemical Structure| 221221-00-7

[ 221221-00-7 ]

1-Bromo-2,4-difluoro-3-methoxybenzene

Similarity: 0.98

Chemical Structure| 202865-60-9

[ 202865-60-9 ]

1-Bromo-2,5-difluoro-4-methoxybenzene

Similarity: 0.95

Chemical Structure| 1804403-69-7

[ 1804403-69-7 ]

1-Bromo-3,5-dimethoxy-2-fluorobenzene

Similarity: 0.98

Chemical Structure| 221221-00-7

[ 221221-00-7 ]

1-Bromo-2,4-difluoro-3-methoxybenzene

Similarity: 0.98

Bromides

Chemical Structure| 1804403-69-7

[ 1804403-69-7 ]

1-Bromo-3,5-dimethoxy-2-fluorobenzene

Similarity: 0.98

Chemical Structure| 221221-00-7

[ 221221-00-7 ]

1-Bromo-2,4-difluoro-3-methoxybenzene

Similarity: 0.98

Chemical Structure| 202865-60-9

[ 202865-60-9 ]

1-Bromo-2,5-difluoro-4-methoxybenzene

Similarity: 0.95

Chemical Structure| 1804403-69-7

[ 1804403-69-7 ]

1-Bromo-3,5-dimethoxy-2-fluorobenzene

Similarity: 0.98

Chemical Structure| 221221-00-7

[ 221221-00-7 ]

1-Bromo-2,4-difluoro-3-methoxybenzene

Similarity: 0.98

Ethers

Chemical Structure| 1804403-69-7

[ 1804403-69-7 ]

1-Bromo-3,5-dimethoxy-2-fluorobenzene

Similarity: 0.98

Chemical Structure| 221221-00-7

[ 221221-00-7 ]

1-Bromo-2,4-difluoro-3-methoxybenzene

Similarity: 0.98

Chemical Structure| 202865-60-9

[ 202865-60-9 ]

1-Bromo-2,5-difluoro-4-methoxybenzene

Similarity: 0.95

Chemical Structure| 1804403-69-7

[ 1804403-69-7 ]

1-Bromo-3,5-dimethoxy-2-fluorobenzene

Similarity: 0.98

Chemical Structure| 221221-00-7

[ 221221-00-7 ]

1-Bromo-2,4-difluoro-3-methoxybenzene

Similarity: 0.98