CAS RN: 221915-84-0
3-(2-DIMETHYLAMINOETHOXY)-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.20250518 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-106721
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: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- 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.
221915-84-0 / 2-(3-bromophenoxy)-N,N-dimethylethanamine
Basic Information
CAS
221915-84-0
Multi CAS
No
Molecular Formula
C10H14BrNO
Molecular Weight
244.130000
Exact Mass
243.025880
SMILES
CN(C)CCOC1=CC(=CC=C1)Br
InChI
InChI=1S/C10H14BrNO/c1-12(2)6-7-13-10-5-3-4-9(11)8-10/h3-5,8H,6-7H2,1-2H3
InChIKey
ITRIRBFNZOUJEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
58.19
TPSA
12.47
LogP / Solubility
WLOGP
2.39
MLOGP
2.11
XLogP3
2.6
Consensus LogP
2.37
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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