CAS RN: 30310-22-6
2-BROMO-4-METHYLPENTANE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS30310-22-6
- Purity/Analytical Methods: >99.0%
30310-22-6 / 2-bromo-4-methylpentane
Basic Information
CAS
30310-22-6
Multi CAS
Yes
Molecular Formula
C6H13BR
Molecular Weight
165.070000
Exact Mass
164.020060
InChI
InChI=1S/C6H13Br/c1-5(2)4-6(3)7/h5-6H,4H2,1-3H3
InChIKey
IUXIOXCOPJFKMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
37.84
TPSA
0.0000
LogP / Solubility
WLOGP
2.82
MLOGP
2.47
XLogP3
3.1
Consensus LogP
2.8
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble
ADME
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)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 30320-27-5 1,1,1,2,4,5,5,5-octafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-4-(trifluoromethyl)pent-2-ene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/30320-27-5.gif)