CAS RN: 2460255-86-9
1H-Pyrazole-5-carboxylic acid, 3-(methoxymethyl)-1-methyl-, lithium salt (1:1)
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.20250824 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-119433
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 |
2460255-86-9 / lithium;hydride;3-(methoxymethyl)-1-methylpyrazole-5-carboxylic acid
Basic Information
CAS
2460255-86-9
Multi CAS
No
Molecular Formula
C7H11LiN2O3
Molecular Weight
178.100000
Exact Mass
178.092971
SMILES
[H-].[Li+].CN1C(=CC(=N1)COC)C(=O)O
InChI
InChI=1S/C7H10N2O3.Li.H/c1-9-6(7(10)11)3-5(8-9)4-12-2;;/h3H,4H2,1-2H3,(H,10,11);;/q;+1;-1
InChIKey
CNWHJANPRWLAGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.99
TPSA
64.35
LogP / Solubility
WLOGP
-2.62
MLOGP
-2.31
XLogP3
-2.62
Consensus LogP
-2.52
Log S (ESOL)
0.62
Class (ESOL)
Highly soluble
Log S (Ali)
0.87
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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