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 | Shanghai | Inquiry |
263365-49-7 / 3-bromo-6,8-dichlorochromen-4-one
Basic Information
CAS
263365-49-7
Multi CAS
No
Molecular Formula
C9H3BrCl2O2
Molecular Weight
293.930000
Exact Mass
291.869350
SMILES
C1=C(C=C(C2=C1C(=O)C(=CO2)Br)Cl)Cl
InChI
InChI=1S/C9H3BrCl2O2/c10-6-3-14-9-5(8(6)13)1-4(11)2-7(9)12/h1-3H
InChIKey
VOMDGEQRRZNLJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
60.2
TPSA
30.21
LogP / Solubility
WLOGP
3.86
MLOGP
3.41
XLogP3
3.7
Consensus LogP
3.66
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
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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