Home Cart 0 Sign in  
X

[ CAS No. 229180-34-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 229180-34-1
Chemical Structure| 229180-34-1
Chemical Structure| 229180-34-1
Structure of 229180-34-1 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 229180-34-1 ]

Related Doc. of [ 229180-34-1 ]

Alternatived Products of [ 229180-34-1 ]

Product Details of [ 229180-34-1 ]

CAS No. :229180-34-1 MDL No. :MFCD12922593
Formula : C6H2BrClF2 Boiling Point : -
Linear Structure Formula :- InChI Key :STPUUBCHYCYFBQ-UHFFFAOYSA-N
M.W :227.43 Pubchem ID :50998379
Synonyms :

Calculated chemistry of [ 229180-34-1 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 39.07
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
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) : -5.24 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.2
Log Po/w (XLOGP3) : 3.44
Log Po/w (WLOGP) : 4.22
Log Po/w (MLOGP) : 4.48
Log Po/w (SILICOS-IT) : 4.02
Consensus Log Po/w : 3.67

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.86
Solubility : 0.0313 mg/ml ; 0.000138 mol/l
Class : Soluble
Log S (Ali) : -3.12
Solubility : 0.172 mg/ml ; 0.000757 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.43
Solubility : 0.00843 mg/ml ; 0.0000371 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.85

Safety of [ 229180-34-1 ]

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
[ 229180-34-1 ]

Fluorinated Building Blocks

Chemical Structure| 914636-89-8

[ 914636-89-8 ]

1-Bromo-5-chloro-2,4-difluorobenzene

Similarity: 1.00

Chemical Structure| 201849-13-0

[ 201849-13-0 ]

1-Bromo-3-chloro-2,4-difluorobenzene

Similarity: 1.00

Chemical Structure| 24812-13-3

[ 24812-13-3 ]

1-Bromo-3,5-dichloro-2,4,6-trifluorobenzene

Similarity: 0.97

Chemical Structure| 1807166-24-0

[ 1807166-24-0 ]

1-Chloro-3,5-dibromo-2,4-difluorobenzene

Similarity: 0.97

Chemical Structure| 144584-65-6

[ 144584-65-6 ]

1-Bromo-3-chloro-2-fluorobenzene

Similarity: 0.97

Aryls

Chemical Structure| 914636-89-8

[ 914636-89-8 ]

1-Bromo-5-chloro-2,4-difluorobenzene

Similarity: 1.00

Chemical Structure| 201849-13-0

[ 201849-13-0 ]

1-Bromo-3-chloro-2,4-difluorobenzene

Similarity: 1.00

Chemical Structure| 24812-13-3

[ 24812-13-3 ]

1-Bromo-3,5-dichloro-2,4,6-trifluorobenzene

Similarity: 0.97

Chemical Structure| 1807166-24-0

[ 1807166-24-0 ]

1-Chloro-3,5-dibromo-2,4-difluorobenzene

Similarity: 0.97

Chemical Structure| 144584-65-6

[ 144584-65-6 ]

1-Bromo-3-chloro-2-fluorobenzene

Similarity: 0.97

Bromides

Chemical Structure| 914636-89-8

[ 914636-89-8 ]

1-Bromo-5-chloro-2,4-difluorobenzene

Similarity: 1.00

Chemical Structure| 201849-13-0

[ 201849-13-0 ]

1-Bromo-3-chloro-2,4-difluorobenzene

Similarity: 1.00

Chemical Structure| 24812-13-3

[ 24812-13-3 ]

1-Bromo-3,5-dichloro-2,4,6-trifluorobenzene

Similarity: 0.97

Chemical Structure| 1807166-24-0

[ 1807166-24-0 ]

1-Chloro-3,5-dibromo-2,4-difluorobenzene

Similarity: 0.97

Chemical Structure| 144584-65-6

[ 144584-65-6 ]

1-Bromo-3-chloro-2-fluorobenzene

Similarity: 0.97

Chlorides

Chemical Structure| 914636-89-8

[ 914636-89-8 ]

1-Bromo-5-chloro-2,4-difluorobenzene

Similarity: 1.00

Chemical Structure| 201849-13-0

[ 201849-13-0 ]

1-Bromo-3-chloro-2,4-difluorobenzene

Similarity: 1.00

Chemical Structure| 24812-13-3

[ 24812-13-3 ]

1-Bromo-3,5-dichloro-2,4,6-trifluorobenzene

Similarity: 0.97

Chemical Structure| 1807166-24-0

[ 1807166-24-0 ]

1-Chloro-3,5-dibromo-2,4-difluorobenzene

Similarity: 0.97

Chemical Structure| 144584-65-6

[ 144584-65-6 ]

1-Bromo-3-chloro-2-fluorobenzene

Similarity: 0.97