CAS RN: 312693-07-5
4-Fluorobenzylzinc chloride, 0.5M solution in THF
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260128 | 50ml | Out of stock | 8-10 business days | Inquiry |
- Product code: LINF920253
312693-07-5 / chlorozinc(1+);1-fluoro-4-methanidylbenzene
Basic Information
CAS
312693-07-5
Multi CAS
Yes
Molecular Formula
C7H6CLFZN
Molecular Weight
210.000000
Exact Mass
207.943348
InChI
InChI=1S/C7H6F.ClH.Zn/c1-6-2-4-7(8)5-3-6;;/h2-5H,1H2;1H;/q-1;;+2/p-1
InChIKey
HEXMIUITECMJJV-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
36.71
TPSA
0.0000
LogP / Solubility
WLOGP
2.69
MLOGP
2.37
XLogP3
2.69
Consensus LogP
2.58
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-2.09
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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