CAS RN: 1610022-76-8
1-(4-(tert-butyl)benzyl)-3-(4-chlorophenyl)-N-hydroxy-1H-pyrazole-5-carboxamide
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250301 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260518 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250115 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250311 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250102 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260130 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250129 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20260526 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1610022-76-8
- Purity/Analytical Methods: >99.0%
1610022-76-8 / 1-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-N-hydroxypyrazole-5-carboxamide
Basic Information
CAS
1610022-76-8
Multi CAS
No
Molecular Formula
C21H22ClN3O2
Molecular Weight
383.900000
Exact Mass
383.140055
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NO
InChI
InChI=1S/C21H22ClN3O2/c1-21(2,3)16-8-4-14(5-9-16)13-25-19(20(26)24-27)12-18(23-25)15-6-10-17(22)11-7-15/h4-12,27H,13H2,1-3H3,(H,24,26)
InChIKey
ZFDMUUNGVLREEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
17
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
106.17
TPSA
67.15
LogP / Solubility
WLOGP
4.67
MLOGP
4.13
XLogP3
4.9
Consensus LogP
4.57
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.51
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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