CAS RN: 1240061-39-5
5-(3-ACETYLAMINOPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC 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.20250705 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-027693
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 |
1240061-39-5 / 3-(3-acetamidophenyl)-1H-pyrazole-5-carboxylic acid
Basic Information
CAS
1240061-39-5
Multi CAS
No
Molecular Formula
C12H11N3O3
Molecular Weight
245.230000
Exact Mass
245.080041
SMILES
CC(=O)NC1=CC=CC(=C1)C2=NNC(=C2)C(=O)O
InChI
InChI=1S/C12H11N3O3/c1-7(16)13-9-4-2-3-8(5-9)10-6-11(12(17)18)15-14-10/h2-6H,1H3,(H,13,16)(H,14,15)(H,17,18)
InChIKey
IDHZYXZLBDSPDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
65.29
TPSA
95.08
LogP / Solubility
WLOGP
1.73
MLOGP
1.53
XLogP3
0.9
Consensus LogP
1.39
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
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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