![CAS 1269440-58-5 PyriMidine, 2-chloro-4-[3-iodo-1-(1-Methylethyl)-1H-pyrazol-4-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1269440-58-5.gif)
CAS RN: 1269440-58-5
PyriMidine, 2-chloro-4-[3-iodo-1-(1-Methylethyl)-1H-pyrazol-4-yl]-
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.20250725 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-034270
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 | Shanghai | Inquiry |
1269440-58-5 / 2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine
Basic Information
CAS
1269440-58-5
Multi CAS
No
Molecular Formula
C10H10ClIN4
Molecular Weight
348.570000
Exact Mass
347.963870
SMILES
CC(C)N1C=C(C(=N1)I)C2=NC(=NC=C2)Cl
InChI
InChI=1S/C10H10ClIN4/c1-6(2)16-5-7(9(12)15-16)8-3-4-13-10(11)14-8/h3-6H,1-2H3
InChIKey
NVQXUVPDZGMTOH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
71.37
TPSA
43.6
LogP / Solubility
WLOGP
3.18
MLOGP
2.82
XLogP3
2.5
Consensus LogP
2.83
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H303 (66.7%): May be harmful if swallowed [Warning Acute toxicity, oral]
H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H401 (66.7%): Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
H411 (66.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P272, P273, P280, P301+P317, P302+P352, P321, P333+P317, P362+P364, P391, and P501
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