CAS RN: 13672-07-6
2-Bromo-1-tetralone
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
- Product code: SSC-045733
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
13672-07-6 / 2-bromo-3,4-dihydro-2H-naphthalen-1-one
Basic Information
CAS
13672-07-6
Multi CAS
No
Molecular Formula
C10H9BrO
Molecular Weight
225.080000
Exact Mass
223.983680
SMILES
C1CC2=CC=CC=C2C(=O)C1Br
InChI
InChI=1S/C10H9BrO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9H,5-6H2
InChIKey
AYNCWMIFKFADCZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
51.81
TPSA
17.07
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
2.9
Consensus LogP
2.58
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-2.26
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
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, and P501
