CAS RN: 1807242-68-7
3-Pyridinecarboxylic acid, 6-chloro-2-(difluoromethoxy)-
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251211 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250615 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250124 | 1g | Out of stock | Inquiry | ||
| Batchno.20250314 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250905 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS1807242-68-7
- Purity/Analytical Methods: >99.0%
1807242-68-7 / 6-chloro-2-(difluoromethoxy)pyridine-3-carboxylic acid
Basic Information
CAS
1807242-68-7
Multi CAS
No
Molecular Formula
C7H4ClF2NO3
Molecular Weight
223.560000
Exact Mass
222.984777
SMILES
C1=CC(=NC(=C1C(=O)O)OC(F)F)Cl
InChI
InChI=1S/C7H4ClF2NO3/c8-4-2-1-3(6(12)13)5(11-4)14-7(9)10/h1-2,7H,(H,12,13)
InChIKey
HASDCONMJPIDTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.84
TPSA
59.42
LogP / Solubility
WLOGP
2.03
MLOGP
1.79
XLogP3
2.6
Consensus LogP
2.14
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
