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CAS 226570-65-6 4-PENTENYLZINC BROMIDE molecular structure lightbox
CAS RN: 226570-65-6

4-PENTENYLZINC BROMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251126 50ml Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS226570-65-6
  • Purity/Analytical Methods: >99.0%
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226570-65-6 / bromozinc(1+);pent-1-ene

Standard CAS: 226570-65-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
226570-65-6
Multi CAS
No
Molecular Formula
C5H9BrZn
Molecular Weight
214.400000
Exact Mass
211.917900
SMILES
[CH2-]CCC=C.[Zn+]Br
InChI
InChI=1S/C6H11.BrH.Zn/c1-3-5-6-4-2;;/h3H,1-2,4-6H2;1H;/q-1;;+2/p-1
InChIKey
PYEUPXMYBMUNGY-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
33.71
TPSA
0.0000

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.63
Consensus LogP
2.53
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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