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CAS 312693-16-6 3-METHOXYBENZYLZINC CHLORIDE molecular structure lightbox
CAS RN: 312693-16-6

3-METHOXYBENZYLZINC CHLORIDE

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250516 100ml In stock Inquiry
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  • Product code: starshine_CAS312693-16-6
  • Purity/Analytical Methods: >99.0%
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312693-16-6 / chlorozinc(1+);1-methanidyl-3-methoxybenzene

Standard CAS: 312693-16-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
312693-16-6
Multi CAS
Yes
Molecular Formula
C8H9CLOZN
Molecular Weight
222.000000
Exact Mass
219.963334
InChI
InChI=1S/C8H9O.ClH.Zn/c1-7-4-3-5-8(6-7)9-2;;/h3-6H,1H2,2H3;1H;/q-1;;+2/p-1
InChIKey
MRTOLABRGUSXMD-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
43.31
TPSA
9.23

LogP / Solubility

WLOGP
2.56
MLOGP
2.26
XLogP3
2.56
Consensus LogP
2.46
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.25

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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