CAS RN: 941521-45-5
Urea, N-(3-nitrophenyl)-N’-(4-phenyl-2-thiazolyl)-
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.20250817 | 1mg / 5mg / 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS941521-45-5
- Purity/Analytical Methods: >99.0%
941521-45-5 / 1-(3-nitrophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
Basic Information
CAS
941521-45-5
Multi CAS
No
Molecular Formula
C16H12N4O3S
Molecular Weight
340.400000
Exact Mass
340.063011
InChI
InChI=1S/C16H12N4O3S/c21-15(17-12-7-4-8-13(9-12)20(22)23)19-16-18-14(10-24-16)11-5-2-1-3-6-11/h1-10H,(H2,17,18,19,21)
InChIKey
UJRJAZDAWUSWRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
17
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
93.29
TPSA
97.16
LogP / Solubility
WLOGP
4.36
MLOGP
3.86
XLogP3
3.3
Consensus LogP
3.84
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
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
No
Log Kp (skin permeation)
-1.7
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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