![CAS 745783-73-7 Benzene, 1-fluoro-4-[(1R)-1-isocyanatoethyl]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/745783-73-7.gif)
CAS RN: 745783-73-7
Benzene, 1-fluoro-4-[(1R)-1-isocyanatoethyl]- (9CI)
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.20250515 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS745783-73-7
- Purity/Analytical Methods: >99.0%
745783-73-7 / 1-fluoro-4-[(1R)-1-isocyanatoethyl]benzene
Basic Information
CAS
745783-73-7
Multi CAS
Yes
Molecular Formula
C9FH8NO
Molecular Weight
165.160000
Exact Mass
165.058992
InChI
InChI=1S/C9H8FNO/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3/t7-/m1/s1
InChIKey
MUHCZVYPBWOTTJ-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
42.94
TPSA
29.43
LogP / Solubility
WLOGP
2.22
MLOGP
1.95
XLogP3
3.2
Consensus LogP
2.46
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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
2
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![CAS 745783-83-9 Benzene, 1-[(1S)-1-isocyanatoethyl]-4-methoxy- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/745783-83-9.gif)
