CAS RN: 206347-32-2
1,3-dibromo-2-(2-bromoethoxy)benzene
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.20260424 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS206347-32-2
- Purity/Analytical Methods: >99.0%
206347-32-2 / 1,3-dibromo-2-(2-bromoethoxy)benzene
Basic Information
CAS
206347-32-2
Multi CAS
No
Molecular Formula
C8H7Br3O
Molecular Weight
358.850000
Exact Mass
357.802650
SMILES
C1=CC(=C(C(=C1)Br)OCCBr)Br
InChI
InChI=1S/C8H7Br3O/c9-4-5-12-8-6(10)2-1-3-7(8)11/h1-3H,4-5H2
InChIKey
GGANKCYHHSNNJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
61.13
TPSA
9.23
LogP / Solubility
WLOGP
3.99
MLOGP
3.53
XLogP3
4
Consensus LogP
3.84
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.08
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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