CAS RN: 1038549-20-0
5-(2,5-DICHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250405 | 10g | Out of stock | Inquiry | ||
| Batchno.20250728 | 1g | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250116 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250103 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250621 | 5g | Out of stock | Inquiry |
- Product code: SSC-005478
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1038549-20-0 / 3-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
5-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxylic acid | 3-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxylic acid | MFCD05170026
Basic Information
CAS
1038549-20-0
Multi CAS
Yes
Molecular Formula
C10H6Cl2N2O2
Molecular Weight
257.070000
Exact Mass
255.980633
SMILES
C1=CC(=C(C=C1Cl)C2=NNC(=C2)C(=O)O)Cl
InChI
InChI=1S/C10H6Cl2N2O2/c11-5-1-2-7(12)6(3-5)8-4-9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16)
InChIKey
MFCQLXUIVVBPNY-UHFFFAOYSA-N
Synonyms
5-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxylic acid
3-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
MFCD05170026
5-(2,5-Dichlorophenyl)-1H-pyrazole-3-carboxylicacid
CHEMBL5199222
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61
TPSA
65.98
LogP / Solubility
WLOGP
3.08
MLOGP
2.72
XLogP3
3
Consensus LogP
2.93
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly 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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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