CAS RN: 350602-09-4
4-Amino-6-trifluoromethyl-pyridine-2-carboxylic acid methyl ester
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.20250516 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-141764
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 | Shenzhen | Inquiry |
350602-09-4 / methyl 4-amino-6-(trifluoromethyl)pyridine-2-carboxylate
Basic Information
CAS
350602-09-4
Multi CAS
No
Molecular Formula
C8F3H7N2O2
Molecular Weight
220.150000
Exact Mass
220.045962
InChI
InChI=1S/C8H7F3N2O2/c1-15-7(14)5-2-4(12)3-6(13-5)8(9,10)11/h2-3H,1H3,(H2,12,13)
InChIKey
HJFDQPQGSOFZJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.99
TPSA
65.21
LogP / Solubility
WLOGP
1.47
MLOGP
1.3
XLogP3
1.3
Consensus LogP
1.36
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3.02
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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