CAS RN: 2086-62-6
2-(2-bromoethyl)naphthalene
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.20251101 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2086-62-6
- Purity/Analytical Methods: >99.0%
2086-62-6 / 2-(2-bromoethyl)naphthalene
Basic Information
CAS
2086-62-6
Multi CAS
No
Molecular Formula
C12H11Br
Molecular Weight
235.120000
Exact Mass
234.004410
SMILES
C1=CC=C2C=C(C=CC2=C1)CCBr
InChI
InChI=1S/C12H11Br/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7-8H2
InChIKey
DNJYJMDQLURVBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
Molar refractivity
61.45
TPSA
0.0000
LogP / Solubility
WLOGP
3.78
MLOGP
3.33
XLogP3
4.6
Consensus LogP
3.9
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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