![CAS 2434853-23-1 Cyclohexanecarboxylic acid, 4-[4-amino-3-(difluoromethyl)-1H-pyrazol-1-yl]-, methyl ester, trans- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2434853-23-1.gif)
CAS RN: 2434853-23-1
Cyclohexanecarboxylic acid, 4-[4-amino-3-(difluoromethyl)-1H-pyrazol-1-yl]-, methyl ester, trans-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250920 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-118624
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 |
2434853-23-1 / methyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
Basic Information
CAS
2434853-23-1
Multi CAS
No
Molecular Formula
C12H17F2N3O2
Molecular Weight
273.280000
Exact Mass
273.128883
SMILES
COC(=O)C1CCC(CC1)N2C=C(C(=N2)C(F)F)N
InChI
InChI=1S/C12H17F2N3O2/c1-19-12(18)7-2-4-8(5-3-7)17-6-9(15)10(16-17)11(13)14/h6-8,11H,2-5,15H2,1H3
InChIKey
CWCHVBXCDXRDRJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.61
TPSA
70.14
LogP / Solubility
WLOGP
2.31
MLOGP
2.04
XLogP3
1.2
Consensus LogP
1.85
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75
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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