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CAS 254454-47-2 4-METHOXYPHENYLZINC IODIDE molecular structure lightbox
CAS RN: 254454-47-2

4-METHOXYPHENYLZINC IODIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260525 50ml Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS254454-47-2
  • Purity/Analytical Methods: >99.0%
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254454-47-2 / iodozinc(1+);methoxybenzene

Standard CAS: 254454-47-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
254454-47-2
Multi CAS
No
Molecular Formula
C7H7IOZn
Molecular Weight
299.400000
Exact Mass
297.883300
SMILES
COC1=CC=[C-]C=C1.[Zn+]I
InChI
InChI=1S/C7H7O.HI.Zn/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1
InChIKey
JVJFRVJNFBRNFW-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
45.85
TPSA
9.23

LogP / Solubility

WLOGP
2.38
MLOGP
2.11
XLogP3
2.38
Consensus LogP
2.29
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-2.86

Drug-likeness / Medicinal Chemistry

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

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