CAS RN: 1005883-72-6
Z433927330
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260406 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250826 | 100mg | Out of stock | Inquiry | |
| Batchno.20260414 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250912 | 250mg | Out of stock | Inquiry | |
| Batchno.20250127 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250626 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250720 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1005883-72-6
- Purity/Analytical Methods: >99.0%
1005883-72-6 / ethyl 4-[(4-pyrazol-1-ylphenyl)methylcarbamoylamino]benzoate
Z433927330 | ethyl 4-[(4-pyrazol-1-ylphenyl)methylcarbamoylamino]benzoate | Ethyl 4-(3-(4-(1H-pyrazol-1-yl)benzyl)ureido)benzoate
Basic Information
CAS
1005883-72-6
Multi CAS
No
Molecular Formula
C20H20N4O3
Molecular Weight
364.400000
Exact Mass
364.153541
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CC=C(C=C2)N3C=CC=N3
InChI
InChI=1S/C20H20N4O3/c1-2-27-19(25)16-6-8-17(9-7-16)23-20(26)21-14-15-4-10-18(11-5-15)24-13-3-12-22-24/h3-13H,2,14H2,1H3,(H2,21,23,26)
InChIKey
KQUKHINHCUELQL-UHFFFAOYSA-N
Synonyms
Z433927330
ethyl 4-[(4-pyrazol-1-ylphenyl)methylcarbamoylamino]benzoate
Ethyl 4-(3-(4-(1H-pyrazol-1-yl)benzyl)ureido)benzoate
orb1308926
GLXC-23718
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
17
Fraction Csp3
0.15
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
101.82
TPSA
85.25
LogP / Solubility
WLOGP
3.37
MLOGP
2.99
XLogP3
2.6
Consensus LogP
2.99
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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