CAS RN: 288252-20-0
1-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
- Product code: SSC-130605
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 |
288252-20-0 / 1-(3,4-difluorophenyl)-5-methylpyrazole-4-carboxylic acid
Basic Information
CAS
288252-20-0
Multi CAS
No
Molecular Formula
C11H8F2N2O2
Molecular Weight
238.190000
Exact Mass
238.055384
InChI
InChI=1S/C11H8F2N2O2/c1-6-8(11(16)17)5-14-15(6)7-2-3-9(12)10(13)4-7/h2-5H,1H3,(H,16,17)
InChIKey
ZPUYQNXDSDQEHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.18
TPSA
55.12
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
2
Consensus LogP
2.02
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-2.64
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 288259-39-2 1H-Thieno[3,4-d]iMidazole-4-pentanaMide, N-(5-aMinopentyl)hexahydro-2-oxo-, (3aS,4S,6aR)-, Mono(trifluoroacetate) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/288259-39-2.png)
