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CAS 308796-07-8 1-METHYLBUTYLZINC BROMIDE molecular structure lightbox
CAS RN: 308796-07-8

1-METHYLBUTYLZINC BROMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250104 50ml Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS308796-07-8
  • Purity/Analytical Methods: >99.0%
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308796-07-8 / bromozinc(1+);pentane

Standard CAS: 308796-07-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
308796-07-8
Multi CAS
Yes
Molecular Formula
C5H11BRZN
Molecular Weight
216.400000
Exact Mass
213.933550
InChI
InChI=1S/C5H11.BrH.Zn/c1-3-5-4-2;;/h3H,4-5H2,1-2H3;1H;/q-1;;+2/p-1
InChIKey
DVLFKZPWUOKFIL-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
33.81
TPSA
0.0000

LogP / Solubility

WLOGP
2.85
MLOGP
2.51
XLogP3
2.85
Consensus LogP
2.74
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.01

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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