CAS RN: 501684-93-1
NS 1738
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260209 | 100mg | In stock | Shenzhen | Inquiry |
| Batchno.20250807 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250911 | 1g | Out of stock | Inquiry | |
| Batchno.20250301 | 250mg | Out of stock | Inquiry | |
| Batchno.20250514 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250722 | 50mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260213 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS501684-93-1
- Purity/Analytical Methods: >99.0%
501684-93-1 / 1-(5-chloro-2-hydroxyphenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
Basic Information
CAS
501684-93-1
Multi CAS
No
Molecular Formula
C14H9CL2F3N2O2
Molecular Weight
365.100000
Exact Mass
363.999317
InChI
InChI=1S/C14H9Cl2F3N2O2/c15-8-2-4-12(22)11(6-8)21-13(23)20-10-5-7(14(17,18)19)1-3-9(10)16/h1-6,22H,(H2,20,21,23)
InChIKey
OUDXRNQPVSMGDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
3
Molar refractivity
82.21
TPSA
61.36
LogP / Solubility
WLOGP
5.36
MLOGP
4.74
XLogP3
4.3
Consensus LogP
4.8
Log S (ESOL)
-5.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.72
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)
-1.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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