CAS RN: 1710-62-9
5-(2-BROMOETHOXY)-2,3-DIHYDRO-1,4-BENZODIOXINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260325 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1710-62-9
- Purity/Analytical Methods: >99.0%
1710-62-9 / 5-(2-bromoethoxy)-2,3-dihydro-1,4-benzodioxine
Basic Information
CAS
1710-62-9
Multi CAS
No
Molecular Formula
C10H11BrO3
Molecular Weight
259.100000
Exact Mass
257.989160
SMILES
C1COC2=C(O1)C=CC=C2OCCBr
InChI
InChI=1S/C10H11BrO3/c11-4-5-12-8-2-1-3-9-10(8)14-7-6-13-9/h1-3H,4-7H2
InChIKey
IHXJWHBJQFUJBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
56.72
TPSA
27.69
LogP / Solubility
WLOGP
2.23
MLOGP
1.97
XLogP3
2.4
Consensus LogP
2.2
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.72
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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