CAS RN: 851107-84-1
N-(6-BROMO-2,3-DIHYDRO-4-NITRO-1-OXO-1H-INDEN-5-YL)ACETAMIDE
- Product code: SSC-193181
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 | Hong Kong | Inquiry |
851107-84-1 / N-(6-bromo-4-nitro-1-oxo-2,3-dihydroinden-5-yl)acetamide
Basic Information
CAS
851107-84-1
Multi CAS
No
Molecular Formula
BC11H9O4Rn2
Molecular Weight
313.100000
Exact Mass
311.974570
InChI
InChI=1S/C11H9BrN2O4/c1-5(15)13-10-8(12)4-7-6(2-3-9(7)16)11(10)14(17)18/h4H,2-3H2,1H3,(H,13,15)
InChIKey
FRCJHZMQQJJWSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.75
TPSA
89.31
LogP / Solubility
WLOGP
2.44
MLOGP
2.16
XLogP3
1.9
Consensus LogP
2.17
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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