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CAS 2211-69-0 (Z)-2-Chloro-2-butene molecular structure lightbox
CAS RN: 2211-69-0

(Z)-2-Chloro-2-butene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250518 1ml In stock Shanghai, Guangdong Inquiry
  • Product code: ICTC0827
  • Purity/Analytical Methods: >97.0%(GC)
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2211-69-0 / (Z)-2-chlorobut-2-ene

Standard CAS: 2211-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2211-69-0
Multi CAS
No
Molecular Formula
C4H7Cl
Molecular Weight
90.550000
Exact Mass
90.023628
SMILES
C/C=C(/C)\Cl
InChI
InChI=1S/C4H7Cl/c1-3-4(2)5/h3H,1-2H3/b4-3-
InChIKey
DSDHFHLZEFQSFM-ARJAWSKDSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
0.5
Molar refractivity
25.28
TPSA
0.0000

LogP / Solubility

WLOGP
2.15
MLOGP
1.88
XLogP3
2.1
Consensus LogP
2.04
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-1.75

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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