CAS RN: 688309-70-8
BX 430
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260622 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260609 | 1g | Out of stock | Inquiry | |
| Batchno.20250731 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250613 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260207 | 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260614 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS688309-70-8
- Purity/Analytical Methods: >99.0%
688309-70-8 / 1-(2,6-dibromo-4-propan-2-ylphenyl)-3-pyridin-3-ylurea
Basic Information
CAS
688309-70-8
Multi CAS
No
Molecular Formula
C15H15BR2N3O
Molecular Weight
413.110000
Exact Mass
412.956140
InChI
InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)
InChIKey
JFNKIJKRXKPQCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
92.81
TPSA
54.02
LogP / Solubility
WLOGP
5.37
MLOGP
4.75
XLogP3
3.9
Consensus LogP
4.67
Log S (ESOL)
-6.01
Class (ESOL)
Insoluble
Log S (Ali)
-6.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
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)
-1.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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