CAS RN: 289039-49-2
4,5-DICHLORO-2-FLUOROBENZOIC ACID
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251114 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-130812
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.25g, 5g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
289039-49-2 / 4,5-dichloro-2-fluorobenzoic acid
Basic Information
CAS
289039-49-2
Multi CAS
Yes
Molecular Formula
C7H3CL2FO2
Molecular Weight
209.000000
Exact Mass
207.949413
InChI
InChI=1S/C7H3Cl2FO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,(H,11,12)
InChIKey
XFOJZPTYJMXNKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.38
TPSA
37.3
LogP / Solubility
WLOGP
2.83
MLOGP
2.49
XLogP3
2.8
Consensus LogP
2.71
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-1.99
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
1.5
Customers Also Viewed
-
-
-
N-[5-(Diphenylphosphinoylmethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide
- CAS RN: 289042-10-0
- Product Code: SSC-130817
-
-
-
6-Chloro-2,3-dihydrobenzofuran
- CAS RN: 289058-21-5
- Product Code: starshine_CAS289058-21-5
- Purity/Analytical method: >99.0%
![CAS 289042-10-0 N-[5-(Diphenylphosphinoylmethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/289042-10-0.png)
![CAS 289044-48-0 4-[(5-CHLOROPYRIDIN-2-YL)OXY]BENZOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/289044-48-0.png)
