Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
500587-45-1 / 3,5-dibromo-6-methyl-1H-pyridin-2-one
Basic Information
CAS
500587-45-1
Multi CAS
Yes
Molecular Formula
C6H5BR2NO
Molecular Weight
266.920000
Exact Mass
266.871740
InChI
InChI=1S/C6H5Br2NO/c1-3-4(7)2-5(8)6(10)9-3/h2H,1H3,(H,9,10)
InChIKey
KOBUELJRZDJHTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.2
TPSA
32.86
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
1.9
Consensus LogP
2.02
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78
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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500588-73-8
- CAS RN: 500588-73-8
- Product Code: starshine_CAS500588-73-8
- Purity/Analytical method: >99.0%
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