CAS RN: 1540370-13-5
4-(4-chloro-2-fluorophenyl)butan-2-one
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.20260324 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-063426
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 | Hong Kong | Inquiry |
1540370-13-5 / 4-(4-chloro-2-fluorophenyl)butan-2-one
Basic Information
CAS
1540370-13-5
Multi CAS
No
Molecular Formula
C10H10ClFO
Molecular Weight
200.640000
Exact Mass
200.040421
SMILES
CC(=O)CCC1=C(C=C(C=C1)Cl)F
InChI
InChI=1S/C10H10ClFO/c1-7(13)2-3-8-4-5-9(11)6-10(8)12/h4-6H,2-3H2,1H3
InChIKey
YPMJYPOEWFTHPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
50.41
TPSA
17.07
LogP / Solubility
WLOGP
3
MLOGP
2.64
XLogP3
2.6
Consensus LogP
2.75
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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