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CAS 62614-70-4 cis-6-Chloro-2-hexene molecular structure lightbox
CAS RN: 62614-70-4

cis-6-Chloro-2-hexene

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250123 1ml In stock Inquiry
Batchno.20250701 1ml In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250503 25ml Out of stock Inquiry
Batchno.20250827 5ml Out of stock Inquiry
Batchno.20260516 5ml In stock Shanghai, Shandong Inquiry
  • Product code: ICTC1653
  • Purity/Analytical Methods: >90.0%(GC)
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62614-70-4 / (E)-6-chlorohex-2-ene

Standard CAS: 62614-70-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62614-70-4
Multi CAS
Yes
Molecular Formula
C6H11CL
Molecular Weight
118.600000
Exact Mass
118.054928
InChI
InChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h2-3H,4-6H2,1H3/b3-2+
InChIKey
SJHDJTNQXRYLLN-NSCUHMNNSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
3
Molar refractivity
34.77
TPSA
0.0000

LogP / Solubility

WLOGP
2.58
MLOGP
2.26
XLogP3
2.5
Consensus LogP
2.45
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-1.61

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
1.5

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