CAS RN: 1188171-96-1
1-bromo-4-fluoro-2,3-dihydro-1H-indene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250630 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1188171-96-1
- Purity/Analytical Methods: >99.0%
1188171-96-1 / 1-bromo-4-fluoro-2,3-dihydro-1H-indene
1-bromo-4-fluoro-2,3-dihydro-1H-indene | RefChem:430640 | 899-923-7
Basic Information
CAS
1188171-96-1
Multi CAS
No
Molecular Formula
C9H8BrF
Molecular Weight
215.060000
Exact Mass
213.979340
SMILES
C1CC2=C(C1Br)C=CC=C2F
InChI
InChI=1S/C9H8BrF/c10-8-5-4-7-6(8)2-1-3-9(7)11/h1-3,8H,4-5H2
InChIKey
CQFDENIIPSNVQG-UHFFFAOYSA-N
Synonyms
1-bromo-4-fluoro-2,3-dihydro-1H-indene
RefChem:430640
899-923-7
1-bromo-4-fluoro-indane
SCHEMBL16033376
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
Molar refractivity
46.39
TPSA
0.0000
LogP / Solubility
WLOGP
3.21
MLOGP
2.82
XLogP3
3
Consensus LogP
3.01
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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