Home Cart 0 Sign in  
X

[ CAS No. 320740-35-0 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 320740-35-0
Chemical Structure| 320740-35-0
Chemical Structure| 320740-35-0
Structure of 320740-35-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Bulk Inquiry Add To Cart

Quality Control of [ 320740-35-0 ]

Related Doc. of [ 320740-35-0 ]

Alternatived Products of [ 320740-35-0 ]

Product Details of [ 320740-35-0 ]

CAS No. :320740-35-0 MDL No. :MFCD12755819
Formula : C8H8BrNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :FRMCBXHLZRNCKS-UHFFFAOYSA-N
M.W :230.06 Pubchem ID :46856385
Synonyms :

Calculated chemistry of [ 320740-35-0 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 50.47
TPSA : 63.32 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) : -6.02 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.58
Log Po/w (XLOGP3) : 2.37
Log Po/w (WLOGP) : 2.05
Log Po/w (MLOGP) : 0.95
Log Po/w (SILICOS-IT) : 1.64
Consensus Log Po/w : 1.72

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -3.06
Solubility : 0.199 mg/ml ; 0.000864 mol/l
Class : Soluble
Log S (Ali) : -3.34
Solubility : 0.105 mg/ml ; 0.000457 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.66
Solubility : 0.504 mg/ml ; 0.00219 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.44

Safety of [ 320740-35-0 ]

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:
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 320740-35-0 ]

Aryls

Chemical Structure| 106976-24-3

[ 106976-24-3 ]

2-Amino-5-bromo-4-methylbenzoic acid

Similarity: 0.94

Chemical Structure| 20776-66-3

[ 20776-66-3 ]

2-Amino-3,6-dibromobenzoic acid

Similarity: 0.92

Chemical Structure| 20776-51-6

[ 20776-51-6 ]

2-Amino-3-bromobenzoic acid

Similarity: 0.92

Chemical Structure| 13091-43-5

[ 13091-43-5 ]

2-Amino-3-bromo-5-methylbenzoic acid

Similarity: 0.92

Chemical Structure| 320740-34-9

[ 320740-34-9 ]

Methyl 2-amino-3-bromo-4-methylbenzoate

Similarity: 0.91

Bromides

Chemical Structure| 106976-24-3

[ 106976-24-3 ]

2-Amino-5-bromo-4-methylbenzoic acid

Similarity: 0.94

Chemical Structure| 20776-66-3

[ 20776-66-3 ]

2-Amino-3,6-dibromobenzoic acid

Similarity: 0.92

Chemical Structure| 20776-51-6

[ 20776-51-6 ]

2-Amino-3-bromobenzoic acid

Similarity: 0.92

Chemical Structure| 13091-43-5

[ 13091-43-5 ]

2-Amino-3-bromo-5-methylbenzoic acid

Similarity: 0.92

Chemical Structure| 320740-34-9

[ 320740-34-9 ]

Methyl 2-amino-3-bromo-4-methylbenzoate

Similarity: 0.91

Amines

Chemical Structure| 106976-24-3

[ 106976-24-3 ]

2-Amino-5-bromo-4-methylbenzoic acid

Similarity: 0.94

Chemical Structure| 20776-66-3

[ 20776-66-3 ]

2-Amino-3,6-dibromobenzoic acid

Similarity: 0.92

Chemical Structure| 20776-51-6

[ 20776-51-6 ]

2-Amino-3-bromobenzoic acid

Similarity: 0.92

Chemical Structure| 13091-43-5

[ 13091-43-5 ]

2-Amino-3-bromo-5-methylbenzoic acid

Similarity: 0.92

Chemical Structure| 320740-34-9

[ 320740-34-9 ]

Methyl 2-amino-3-bromo-4-methylbenzoate

Similarity: 0.91

Carboxylic Acids

Chemical Structure| 106976-24-3

[ 106976-24-3 ]

2-Amino-5-bromo-4-methylbenzoic acid

Similarity: 0.94

Chemical Structure| 20776-66-3

[ 20776-66-3 ]

2-Amino-3,6-dibromobenzoic acid

Similarity: 0.92

Chemical Structure| 20776-51-6

[ 20776-51-6 ]

2-Amino-3-bromobenzoic acid

Similarity: 0.92

Chemical Structure| 13091-43-5

[ 13091-43-5 ]

2-Amino-3-bromo-5-methylbenzoic acid

Similarity: 0.92