CAS RN: 128915-84-4
1,4-DIBROMO-2,5-DI(BUTOXY)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.20260415 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS128915-84-4
- Purity/Analytical Methods: >99.0%
128915-84-4 / 1,4-dibromo-2,5-dibutoxybenzene
Basic Information
CAS
128915-84-4
Multi CAS
No
Molecular Formula
C14H20Br2O2
Molecular Weight
380.110000
Exact Mass
379.980960
SMILES
CCCCOC1=CC(=C(C=C1Br)OCCCC)Br
InChI
InChI=1S/C14H20Br2O2/c1-3-5-7-17-13-9-12(16)14(10-11(13)15)18-8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKey
XCQQVOXIIWKRLJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
82.65
TPSA
18.46
LogP / Solubility
WLOGP
5.57
MLOGP
4.92
XLogP3
5.7
Consensus LogP
5.4
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.71
Class (SILICOS-IT)
Insoluble
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)
-1.08
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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