CAS RN: 1805519-87-2
3-Pyridinecarboxylic acid, 6-chloro-2-(difluoromethoxy)-, methyl ester
Product Availability
Choose a grade to view its available package options.
6 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260222 | 100mg | In stock | Tianjin | Inquiry | |
| Batchno.20250401 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260131 | 10g | Out of stock | Inquiry | ||
| Batchno.20250915 | 1g | Out of stock | Inquiry | ||
| Batchno.20250515 | 250mg | In stock | Tianjin | Inquiry | |
| Batchno.20260311 | 5g | Out of stock | Inquiry |
- Product code: SSC-081470
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 |
1805519-87-2 / methyl 6-chloro-2-(difluoromethoxy)pyridine-3-carboxylate
Basic Information
CAS
1805519-87-2
Multi CAS
No
Molecular Formula
C8H6ClF2NO3
Molecular Weight
237.590000
Exact Mass
237.000427
SMILES
COC(=O)C1=C(N=C(C=C1)Cl)OC(F)F
InChI
InChI=1S/C8H6ClF2NO3/c1-14-7(13)4-2-3-5(9)12-6(4)15-8(10)11/h2-3,8H,1H3
InChIKey
LSJJIQUABMGTQF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
47.22
TPSA
48.42
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
2.9
Consensus LogP
2.3
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
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)
-2.66
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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