CAS RN: 67191-93-9
5-FLUORO-2-METHYLPHENYL ISOCYANATE
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: SSC-176822
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
67191-93-9 / 4-fluoro-2-isocyanato-1-methylbenzene
Basic Information
CAS
67191-93-9
Multi CAS
No
Molecular Formula
C8FH6NO
Molecular Weight
151.140000
Exact Mass
151.043342
InChI
InChI=1S/C8H6FNO/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3
InChIKey
KRAMFLATTKXGOW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
38.92
TPSA
29.43
LogP / Solubility
WLOGP
2.1
MLOGP
1.84
XLogP3
3.2
Consensus LogP
2.38
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 67193-97-9 7-HYDROXY-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/67193-97-9.gif)
