CAS RN: 1185320-17-5
3-Bromo-4-(methyl-d3)-furan
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.20251009 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB889870
1185320-17-5 / 3-bromo-4-(trideuteriomethyl)furan
3-Bromo-4-(methyl-d3)-furan | 3-Bromo-4-(methyl-d3)furan | AKOS015944491
Basic Information
CAS
1185320-17-5
Multi CAS
No
Molecular Formula
C5H5BrO
Molecular Weight
164.010000
Exact Mass
162.971210
SMILES
[2H]C([2H])([2H])C1=COC=C1Br
InChI
InChI=1S/C5H5BrO/c1-4-2-7-3-5(4)6/h2-3H,1H3/i1D3
InChIKey
PPIZXLDQECIGOA-FIBGUPNXSA-N
Synonyms
3-Bromo-4-(methyl-d3)-furan
3-Bromo-4-(methyl-d3)furan
AKOS015944491
CS-17703
F92449
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.2
H-bond acceptors
1
Molar refractivity
31.14
TPSA
13.14
LogP / Solubility
WLOGP
2.35
MLOGP
2.06
XLogP3
2
Consensus LogP
2.14
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately 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)
-2.03
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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