CAS RN: 73022-40-9
2-(Bromomethyl)-6-methoxynaphthalene
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.20260126 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS73022-40-9
- Purity/Analytical Methods: >99.0%
73022-40-9 / 2-(bromomethyl)-6-methoxynaphthalene
Basic Information
CAS
73022-40-9
Multi CAS
No
Molecular Formula
C12H11BRO
Molecular Weight
251.120000
Exact Mass
249.999330
InChI
InChI=1S/C12H11BrO/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-7H,8H2,1H3
InChIKey
BDQUQKLPHTYIPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
63.13
TPSA
9.23
LogP / Solubility
WLOGP
3.74
MLOGP
3.3
XLogP3
3.7
Consensus LogP
3.58
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
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)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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