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: 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
148231-14-5 / 5,8-dibromo-2,3-diethylquinoxaline
Basic Information
CAS
148231-14-5
Multi CAS
No
Molecular Formula
C12H12Br2N2
Molecular Weight
344.040000
Exact Mass
343.934670
SMILES
CCC1=NC2=C(C=CC(=C2N=C1CC)Br)Br
InChI
InChI=1S/C12H12Br2N2/c1-3-9-10(4-2)16-12-8(14)6-5-7(13)11(12)15-9/h5-6H,3-4H2,1-2H3
InChIKey
SXPVFRWOXOCNCK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
73.69
TPSA
25.78
LogP / Solubility
WLOGP
4.28
MLOGP
3.78
XLogP3
4.3
Consensus LogP
4.12
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78
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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