CAS RN: 276684-04-9
5-(3,4-DICHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-127814
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
276684-04-9 / 3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
Basic Information
CAS
276684-04-9
Multi CAS
Yes
Molecular Formula
C10H6CL2N2O2
Molecular Weight
257.070000
Exact Mass
255.980633
InChI
InChI=1S/C10H6Cl2N2O2/c11-6-2-1-5(3-7(6)12)8-4-9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16)
InChIKey
KTLNOKUDBRHUIV-UHFFFAOYSA-N
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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