CAS RN: 883876-21-9
2,5-DIBROMO-1H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER
- Product code: SSC-198998
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
883876-21-9 / methyl 2,5-dibromo-1H-imidazole-4-carboxylate
Basic Information
CAS
883876-21-9
Multi CAS
Yes
Molecular Formula
C5H4BR2N2O2
Molecular Weight
283.910000
Exact Mass
283.861900
InChI
InChI=1S/C5H4Br2N2O2/c1-11-4(10)2-3(6)9-5(7)8-2/h1H3,(H,8,9)
InChIKey
GZZUUHHVKJJFKF-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
3
H-bond donors
1
Molar refractivity
45.33
TPSA
54.98
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
2.3
Consensus LogP
1.85
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
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)
-3.23
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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