CAS RN: 1706464-39-2
2,4-Dichloro-6-difluoromethyl-pyrimidine
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250517 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260327 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260527 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251129 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260322 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1706464-39-2
- Purity/Analytical Methods: >99.0%
1706464-39-2 / 2,4-dichloro-6-(difluoromethyl)pyrimidine
Basic Information
CAS
1706464-39-2
Multi CAS
No
Molecular Formula
C5H2Cl2F2N2
Molecular Weight
198.980000
Exact Mass
197.956310
SMILES
C1=C(N=C(N=C1Cl)Cl)C(F)F
InChI
InChI=1S/C5H2Cl2F2N2/c6-3-1-2(4(8)9)10-5(7)11-3/h1,4H
InChIKey
YYCRJWLMXYFLKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
37.01
TPSA
25.78
LogP / Solubility
WLOGP
2.72
MLOGP
2.39
XLogP3
2.8
Consensus LogP
2.64
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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
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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