CAS RN: 330981-72-1
AS 1269574
Product Availability
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15 package records11 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251004 | 5mg / 25mg / 100mg | Out of stock | 15 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250610 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260111 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251101 | 1g | Out of stock | Inquiry | ||
| Batchno.20260524 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250925 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260529 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260525 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250307 | 100mg | In stock | Inquiry | ||
| Batchno.20250319 | 10mg | In stock | Inquiry | ||
| Batchno.20250725 | 1g | Out of stock | Inquiry | ||
| Batchno.20260430 | 250mg | In stock | Inquiry | ||
| Batchno.20260523 | 25mg | In stock | Inquiry | ||
| Batchno.20260126 | 50mg | In stock | Inquiry | ||
| Batchno.20260107 | 5mg | In stock | Inquiry |
- Product code: starshine_CAS330981-72-1
- Purity/Analytical Methods: >99.0%
330981-72-1 / 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
Basic Information
CAS
330981-72-1
Multi CAS
Yes
Molecular Formula
BC13H14ORn3
Molecular Weight
308.170000
Exact Mass
307.032020
InChI
InChI=1S/C13H14BrN3O/c1-9-8-12(15-6-7-18)17-13(16-9)10-2-4-11(14)5-3-10/h2-5,8,18H,6-7H2,1H3,(H,15,16,17)
InChIKey
DUKPGOOUJNUIOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
75.48
TPSA
58.04
LogP / Solubility
WLOGP
2.62
MLOGP
2.32
XLogP3
2.6
Consensus LogP
2.51
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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