CAS RN: 199480-28-9
ethyl 3-(hydroxyMethyl)-1-Methyl-1H-pyrazole-5-carboxylate
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.20260522 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-093911
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 |
199480-28-9 / ethyl 3-(hydroxymethyl)-1-methylpyrazole-5-carboxylate
Basic Information
CAS
199480-28-9
Multi CAS
No
Molecular Formula
C8H12N2O3
Molecular Weight
184.190000
Exact Mass
184.084792
SMILES
CCOC(=O)C1=CC(=NN1C)CO
InChI
InChI=1S/C8H12N2O3/c1-3-13-8(12)7-4-6(5-11)9-10(7)2/h4,11H,3,5H2,1-2H3
InChIKey
NAILRRQHNORYGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
45.09
TPSA
64.35
LogP / Solubility
WLOGP
0.09
MLOGP
0.08
XLogP3
-0.1
Consensus LogP
0.02
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
Class (SILICOS-IT)
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)
-3.78
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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