CAS RN: 2089649-48-7
6-BROMO-5-FLUORO-2,3-DIHYDRO-1H-INDEN-1-OL
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-098354
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 | Beijing | Inquiry |
2089649-48-7 / 6-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol
Basic Information
CAS
2089649-48-7
Multi CAS
No
Molecular Formula
C9H8BrFO
Molecular Weight
231.060000
Exact Mass
229.974260
SMILES
C1CC2=CC(=C(C=C2C1O)Br)F
InChI
InChI=1S/C9H8BrFO/c10-7-4-6-5(3-8(7)11)1-2-9(6)12/h3-4,9,12H,1-2H2
InChIKey
NFEDJWNLFZRJDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.38
TPSA
20.23
LogP / Solubility
WLOGP
2.57
MLOGP
2.26
XLogP3
2.3
Consensus LogP
2.38
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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