CAS RN: 6645-69-8
(4-NITRO-PYRAZOL-1-YL)-ACETIC ACID
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.20250404 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-176150
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 |
6645-69-8 / 2-(4-nitropyrazol-1-yl)acetic acid
Basic Information
CAS
6645-69-8
Multi CAS
No
Molecular Formula
C5H5N3O4
Molecular Weight
171.110000
Exact Mass
171.028006
InChI
InChI=1S/C5H5N3O4/c9-5(10)3-7-2-4(1-6-7)8(11)12/h1-2H,3H2,(H,9,10)
InChIKey
KUJDGSFHKVQDQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
36.52
TPSA
98.26
LogP / Solubility
WLOGP
-0.12
MLOGP
-0.11
XLogP3
-0.2
Consensus LogP
-0.14
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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Methyl (4-amino-1H-pyrazol-1-yl)acetate hydrochloride
- CAS RN: 6647-89-8
- Product Code: SSC-176157
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