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[ CAS No. 2270-59-9 ] 5-Bromo-2-methylpent-2-ene

Cat. No.: A156418
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 2270-59-9
Chemical Structure| 2270-59-9
Structure of 2270-59-9 * Storage: Sealed in dry,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 250mg $6.00 Inquiry Inquiry
97% 1g $16.00 Inquiry Inquiry
97% 5g $54.00 Inquiry Inquiry
97% 10g $91.00 Inquiry Inquiry
97% 25g $210.00 Inquiry Inquiry

Quality Control of [ 2270-59-9 ]

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Product Citations

Product Details of [ 2270-59-9 ]

CAS No. :2270-59-9 MDL No. :MFCD00009887
Formula : C6H11Br Boiling Point : -
Linear Structure Formula :- InChI Key :UNXURIHDFUQNOC-UHFFFAOYSA-N
M.W : 163.06 Pubchem ID :137521
Synonyms :

Calculated chemistry of [ 2270-59-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 2
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 38.35
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
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) : -5.2 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.47
Log Po/w (XLOGP3) : 2.95
Log Po/w (WLOGP) : 2.74
Log Po/w (MLOGP) : 2.98
Log Po/w (SILICOS-IT) : 2.1
Consensus Log Po/w : 2.65

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.58
Solubility : 0.431 mg/ml ; 0.00265 mol/l
Class : Soluble
Log S (Ali) : -2.61
Solubility : 0.398 mg/ml ; 0.00244 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.4
Solubility : 0.655 mg/ml ; 0.00402 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.15

Safety of [ 2270-59-9 ]

Signal Word:Danger Class:3
Precautionary Statements:P210-P261-P305+P351+P338 UN#:1993
Hazard Statements:H225-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2270-59-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 2270-59-9 ]

[ 2270-59-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 2270-59-9 ]
  • [ 874-27-1 ]
  • 3-chloro-2-(5-methylhex-4-en-1-yl)benzaldehyde [ No CAS ]
  • 2
  • [ 2270-59-9 ]
  • [ 56724-09-5 ]
  • 5-methoxy-2-(5-methylhex-4-en-1-yl)benzaldehyde [ No CAS ]
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