![CAS 750599-03-2 2-CHLORO-N-[1-(4-FLUOROPHENYL)ETHYL]PROPANAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3241336.gif)
CAS RN: 750599-03-2
2-CHLORO-N-[1-(4-FLUOROPHENYL)ETHYL]PROPANAMIDE
- Product code: SSC-184567
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
750599-03-2 / 2-chloro-N-[1-(4-fluorophenyl)ethyl]propanamide
Basic Information
CAS
750599-03-2
Multi CAS
No
Molecular Formula
C11H13CLFNO
Molecular Weight
229.680000
Exact Mass
229.066970
InChI
InChI=1S/C11H13ClFNO/c1-7(12)11(15)14-8(2)9-3-5-10(13)6-4-9/h3-8H,1-2H3,(H,14,15)
InChIKey
XVXFVUJDOHMVOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.27
TPSA
29.1
LogP / Solubility
WLOGP
2.63
MLOGP
2.32
XLogP3
2.6
Consensus LogP
2.52
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
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)
-2.25
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
2.5
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![CAS 750604-77-4 3-[2,5-DIMETHYL-1-(2,2,2-TRIFLUOROETHYL)-1H-PYRROL-3-YL]-3-OXOPROPANENITRILE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3460232.gif)
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