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: 25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
914347-25-4 / methyl 2,5-dibromo-1,3-thiazole-4-carboxylate
Basic Information
CAS
914347-25-4
Multi CAS
No
Molecular Formula
C5H3BR2NO2S
Molecular Weight
300.960000
Exact Mass
300.823080
InChI
InChI=1S/C5H3Br2NO2S/c1-10-4(9)2-3(6)11-5(7)8-2/h1H3
InChIKey
JACHFCPPYOVTON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
48.85
TPSA
39.19
LogP / Solubility
WLOGP
2.45
MLOGP
2.17
XLogP3
3.2
Consensus LogP
2.61
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
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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![CAS 914347-48-1 2-[4-(6-AMINO-2-METHYLPYRIMIDIN-4-YL)PIPERAZIN-1-YL]ETHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/914347-48-1.gif)
