CAS RN: 2359690-91-6
Pyrimidine, 4,6-dichloro-5-(1,3-dioxolan-2-yl)-2-methyl-
- Product code: SSC-114826
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 |
2359690-91-6 / 4,6-dichloro-5-(1,3-dioxolan-2-yl)-2-methylpyrimidine
Basic Information
CAS
2359690-91-6
Multi CAS
No
Molecular Formula
C8H8Cl2N2O2
Molecular Weight
235.060000
Exact Mass
233.996283
SMILES
CC1=NC(=C(C(=N1)Cl)C2OCCO2)Cl
InChI
InChI=1S/C8H8Cl2N2O2/c1-4-11-6(9)5(7(10)12-4)8-13-2-3-14-8/h8H,2-3H2,1H3
InChIKey
KWHOJGMFJHLVNN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
51.43
TPSA
44.24
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
1.9
Consensus LogP
1.97
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
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
Leadlikeness
No
Synthetic Accessibility
1.5
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