CAS RN: 455-70-9
METHYL 5-FLUOROPYRIDINE-3-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250616 | 5g / 10g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-153245
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: 10g
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | >97% | 0 Out of Stock | Shanghai | Inquiry |
455-70-9 / methyl 5-fluoropyridine-3-carboxylate
Basic Information
CAS
455-70-9
Multi CAS
Yes
Molecular Formula
C7FH6NO2
Molecular Weight
155.130000
Exact Mass
155.038257
InChI
InChI=1S/C7H6FNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3
InChIKey
PGCFLXMMCWKPDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
35.53
TPSA
39.19
LogP / Solubility
WLOGP
1.01
MLOGP
0.88
XLogP3
0.8
Consensus LogP
0.9
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
