CAS RN: 2089381-34-8
2,6-Dichloro-5-methoxynicotinonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250109 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-098317
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2089381-34-8 / 2,6-dichloro-5-methoxypyridine-3-carbonitrile
Basic Information
CAS
2089381-34-8
Multi CAS
No
Molecular Formula
C7H4Cl2N2O
Molecular Weight
203.020000
Exact Mass
201.970068
SMILES
COC1=C(N=C(C(=C1)C#N)Cl)Cl
InChI
InChI=1S/C7H4Cl2N2O/c1-12-5-2-4(3-10)6(8)11-7(5)9/h2H,1H3
InChIKey
MQJIECZOBAOYJG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
45.52
TPSA
45.91
LogP / Solubility
WLOGP
2.27
MLOGP
2
XLogP3
2.5
Consensus LogP
2.26
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately 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)
-2.35
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
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