CAS RN: 82830-92-0
2-Bromo-5-(methoxymethyl)thiophene
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.20251218 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS82830-92-0
- Purity/Analytical Methods: >99.0%
82830-92-0 / 2-bromo-5-(methoxymethyl)thiophene
Basic Information
CAS
82830-92-0
Multi CAS
No
Molecular Formula
C6H7BROS
Molecular Weight
207.090000
Exact Mass
205.940100
InChI
InChI=1S/C6H7BrOS/c1-8-4-5-2-3-6(7)9-5/h2-3H,4H2,1H3
InChIKey
QSQQAKKFHNTDAV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
42.73
TPSA
9.23
LogP / Solubility
WLOGP
2.66
MLOGP
2.34
XLogP3
2.3
Consensus LogP
2.43
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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