![CAS 2138863-82-6 Ethanone, 1-[3-bromo-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2138863-82-6.png)
CAS RN: 2138863-82-6
Ethanone, 1-[3-bromo-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]-
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.20250420 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-102549
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2138863-82-6 / 1-[3-bromo-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]ethanone
Basic Information
CAS
2138863-82-6
Multi CAS
No
Molecular Formula
C16H14BrFO2
Molecular Weight
337.180000
Exact Mass
336.016120
SMILES
CC1=CC(=CC(=C1OC2=C(C=C(C=C2)C(=O)C)Br)C)F
InChI
InChI=1S/C16H14BrFO2/c1-9-6-13(18)7-10(2)16(9)20-15-5-4-12(11(3)19)8-14(15)17/h4-8H,1-3H3
InChIKey
YQWMLCXMVQRNFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
80.09
TPSA
26.3
LogP / Solubility
WLOGP
5.2
MLOGP
4.59
XLogP3
4.7
Consensus LogP
4.83
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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