CAS RN: 2713-31-7
2,5-Difluorophenol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260111 | 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Chongqing | 5-7 business days | Inquiry |
- Product code: SSC-125936
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: 25g, 100g
- Available purity: >97%
- 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.
2713-31-7 / 2,5-difluorophenol
Basic Information
CAS
2713-31-7
Multi CAS
No
Molecular Formula
C6H4F2O
Molecular Weight
130.090000
Exact Mass
130.023021
SMILES
C1=CC(=C(C=C1F)O)F
InChI
InChI=1S/C6H4F2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKey
INXKVYFOWNAVMU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
28.02
TPSA
20.23
LogP / Solubility
WLOGP
1.67
MLOGP
1.46
XLogP3
2
Consensus LogP
1.71
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
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)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
