Home Cart 0 Sign in  

[ CAS No. 1251032-65-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1251032-65-1
Chemical Structure| 1251032-65-1
Structure of 1251032-65-1 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 1251032-65-1 ]

Related Doc. of [ 1251032-65-1 ]

Alternatived Products of [ 1251032-65-1 ]
Product Citations

Product Details of [ 1251032-65-1 ]

CAS No. :1251032-65-1 MDL No. :MFCD18072806
Formula : C10H12BrCl Boiling Point : No data available
Linear Structure Formula :- InChI Key :MAEUOFBYQLTZRY-UHFFFAOYSA-N
M.W : 247.56 Pubchem ID :53487911
Synonyms :

Calculated chemistry of [ 1251032-65-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.4
Num. rotatable bonds : 1
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 58.42
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.32 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.98
Log Po/w (XLOGP3) : 4.91
Log Po/w (WLOGP) : 4.4
Log Po/w (MLOGP) : 4.81
Log Po/w (SILICOS-IT) : 4.29
Consensus Log Po/w : 4.28

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.77
Solubility : 0.00418 mg/ml ; 0.0000169 mol/l
Class : Moderately soluble
Log S (Ali) : -4.65
Solubility : 0.00559 mg/ml ; 0.0000226 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.08
Solubility : 0.00205 mg/ml ; 0.0000083 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 1.59

Safety of [ 1251032-65-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 1251032-65-1 ]

Aryls

Chemical Structure| 57310-39-1

[ 57310-39-1 ]

3-Bromo-4-chlorotoluene

Similarity: 0.83

Chemical Structure| 97329-43-6

[ 97329-43-6 ]

1-Bromo-2-chloro-3-methylbenzene

Similarity: 0.83

Chemical Structure| 933585-12-7

[ 933585-12-7 ]

1-Bromo-2-chloro-3,5-dimethylbenzene

Similarity: 0.81

Chemical Structure| 127049-87-0

[ 127049-87-0 ]

1-Bromo-2,4-dichloro-3-methylbenzene

Similarity: 0.76

Chemical Structure| 89794-02-5

[ 89794-02-5 ]

4-Bromo-2-chlorotoluene

Similarity: 0.75

Bromides

Chemical Structure| 57310-39-1

[ 57310-39-1 ]

3-Bromo-4-chlorotoluene

Similarity: 0.83

Chemical Structure| 97329-43-6

[ 97329-43-6 ]

1-Bromo-2-chloro-3-methylbenzene

Similarity: 0.83

Chemical Structure| 933585-12-7

[ 933585-12-7 ]

1-Bromo-2-chloro-3,5-dimethylbenzene

Similarity: 0.81

Chemical Structure| 127049-87-0

[ 127049-87-0 ]

1-Bromo-2,4-dichloro-3-methylbenzene

Similarity: 0.76

Chemical Structure| 89794-02-5

[ 89794-02-5 ]

4-Bromo-2-chlorotoluene

Similarity: 0.75

Chlorides

Chemical Structure| 57310-39-1

[ 57310-39-1 ]

3-Bromo-4-chlorotoluene

Similarity: 0.83

Chemical Structure| 97329-43-6

[ 97329-43-6 ]

1-Bromo-2-chloro-3-methylbenzene

Similarity: 0.83

Chemical Structure| 933585-12-7

[ 933585-12-7 ]

1-Bromo-2-chloro-3,5-dimethylbenzene

Similarity: 0.81

Chemical Structure| 127049-87-0

[ 127049-87-0 ]

1-Bromo-2,4-dichloro-3-methylbenzene

Similarity: 0.76

Chemical Structure| 89794-02-5

[ 89794-02-5 ]

4-Bromo-2-chlorotoluene

Similarity: 0.75

; ;