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CAS 3017-68-3 (Z)-2-BROMO-2-BUTENE molecular structure lightbox
CAS RN: 3017-68-3

(Z)-2-BROMO-2-BUTENE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250530 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS3017-68-3
  • Purity/Analytical Methods: >99.0%
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3017-68-3 / 2-bromobut-2-ene

Standard CAS: 3017-68-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3017-68-3
Multi CAS
Yes
Molecular Formula
C4H7BR
Molecular Weight
135.000000
Exact Mass
133.973110
InChI
InChI=1S/C4H7Br/c1-3-4(2)5/h3H,1-2H3
InChIKey
UILZQFGKPHAAOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
0.5
Molar refractivity
28.36
TPSA
0.0000

LogP / Solubility

WLOGP
2.31
MLOGP
2.02
XLogP3
2.2
Consensus LogP
2.18
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately 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)
-1.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1

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