![CAS 1416402-90-8 (R)-2-(broMoMethyl)-5-fluoro-2,3-dihydrobenzo[b][1,4]dioxine, 97%(HPLC) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1416402-90-8.png)
CAS RN: 1416402-90-8
(R)-2-(broMoMethyl)-5-fluoro-2,3-dihydrobenzo[b][1,4]dioxine, 97%(HPLC)
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.20250126 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINR926583
1416402-90-8 / (2R)-2-(bromomethyl)-5-fluoro-2,3-dihydro-1,4-benzodioxine
Basic Information
CAS
1416402-90-8
Multi CAS
No
Molecular Formula
C9H8BrFO2
Molecular Weight
247.060000
Exact Mass
245.969170
SMILES
C1[C@@H](OC2=C(O1)C(=CC=C2)F)CBr
InChI
InChI=1S/C9H8BrFO2/c10-4-6-5-12-9-7(11)2-1-3-8(9)13-6/h1-3,6H,4-5H2/t6-/m0/s1
InChIKey
HUILKBVKTWNQNZ-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.11
TPSA
18.46
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
2.6
Consensus LogP
2.35
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.55
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
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