CAS RN: 1039621-73-2
2-Pyridineacetic acid, a,a-difluoro-
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.20250801 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-005619
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1039621-73-2 / 2,2-difluoro-2-pyridin-2-ylacetic acid
2,2-DIFLUORO-2-(PYRIDIN-2-YL)ACETIC ACID | Difluoro(pyridin-2-yl)acetic acid | MFCD11858606
Basic Information
CAS
1039621-73-2
Multi CAS
No
Molecular Formula
C7H5F2NO2
Molecular Weight
173.120000
Exact Mass
173.028835
SMILES
C1=CC=NC(=C1)C(C(=O)O)(F)F
InChI
InChI=1S/C7H5F2NO2/c8-7(9,6(11)12)5-3-1-2-4-10-5/h1-4H,(H,11,12)
InChIKey
YSLRWDAJQZZLAQ-UHFFFAOYSA-N
Synonyms
2,2-DIFLUORO-2-(PYRIDIN-2-YL)ACETIC ACID
Difluoro(pyridin-2-yl)acetic acid
MFCD11858606
2,2-difluoro-2-(2-pyridyl)acetic acid
2,2-difluoro-2-pyridin-2-ylacetic acid
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.77
TPSA
50.19
LogP / Solubility
WLOGP
1.26
MLOGP
1.1
XLogP3
1.1
Consensus LogP
1.15
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately 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)
-2.88
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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