CAS RN: 892397-56-7
2-(Methoxy-d3)-bromobenzene
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.20250521 | 20mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM889816
892397-56-7 / 1-bromo-2-(trideuteriomethoxy)benzene
Basic Information
CAS
892397-56-7
Multi CAS
No
Molecular Formula
C7H7BRO
Molecular Weight
190.050000
Exact Mass
188.986860
InChI
InChI=1S/C7H7BrO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3/i1D3
InChIKey
HTDQSWDEWGSAMN-FIBGUPNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
40.69
TPSA
9.23
LogP / Solubility
WLOGP
2.46
MLOGP
2.16
XLogP3
2.9
Consensus LogP
2.51
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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