CAS RN: 185252-69-1
4-(3,5-DIMETHYL-1H-PYRAZOL-4-YL)-BENZOIC ACID
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250503 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-085742
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | -- | 3 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 3 In Stock | Hong Kong | Inquiry |
| 0.1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 1g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
185252-69-1 / 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid
Basic Information
CAS
185252-69-1
Multi CAS
No
Molecular Formula
C12H12N2O2
Molecular Weight
216.240000
Exact Mass
216.089878
SMILES
CC1=C(C(=NN1)C)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C12H12N2O2/c1-7-11(8(2)14-13-7)9-3-5-10(6-4-9)12(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKey
JYRIFOAFECWGHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.46
TPSA
65.98
LogP / Solubility
WLOGP
2.39
MLOGP
2.11
XLogP3
2.2
Consensus LogP
2.23
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
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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![CAS 185259-85-2 3-[3-(2-DIMETHYLAMINOETHYL)-1H-INDOL-5-YL]-N-(4-METHOXYBENZYL)ACRYLAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/185259-85-2.gif)
