CAS RN: 1174321-00-6
5-(fluoroMethoxy)pyrazine-2-carboxylic acid
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.20250129 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-017311
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 | Hong Kong | Inquiry |
1174321-00-6 / 5-(fluoromethoxy)pyrazine-2-carboxylic acid
5-(fluoromethoxy)pyrazine-2-carboxylic acid | MFCD20642067 | SCHEMBL991368
Basic Information
CAS
1174321-00-6
Multi CAS
No
Molecular Formula
C6H5FN2O3
Molecular Weight
172.110000
Exact Mass
172.028420
SMILES
C1=C(N=CC(=N1)OCF)C(=O)O
InChI
InChI=1S/C6H5FN2O3/c7-3-12-5-2-8-4(1-9-5)6(10)11/h1-2H,3H2,(H,10,11)
InChIKey
KPFYGFCSLSIHRS-UHFFFAOYSA-N
Synonyms
5-(fluoromethoxy)pyrazine-2-carboxylic acid
MFCD20642067
SCHEMBL991368
SCHEMBL31379016
KPFYGFCSLSIHRS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
35.59
TPSA
72.31
LogP / Solubility
WLOGP
0.48
MLOGP
0.42
XLogP3
0.4
Consensus LogP
0.43
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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