CAS RN: 1214323-40-6
5-chloro-2-(difluoroMethoxy)pyridine
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.20250921 | 250mg / 1g / 5g / 10g | Confirm by inquiry | Shanghai | 15 business days | Inquiry |
- Product code: starshine_CAS1214323-40-6
- Purity/Analytical Methods: >99.0%
1214323-40-6 / 5-chloro-2-(difluoromethoxy)pyridine
Basic Information
CAS
1214323-40-6
Multi CAS
No
Molecular Formula
C6H4ClF2NO
Molecular Weight
179.550000
Exact Mass
178.994948
SMILES
C1=CC(=NC=C1Cl)OC(F)F
InChI
InChI=1S/C6H4ClF2NO/c7-4-1-2-5(10-3-4)11-6(8)9/h1-3,6H
InChIKey
NPGYJVBYGSWAEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
35.88
TPSA
22.12
LogP / Solubility
WLOGP
2.34
MLOGP
2.05
XLogP3
2.7
Consensus LogP
2.36
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
