CAS RN: 52817-12-6
6-Bromo-3-formylchromone
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock4 grade groups
- Product code: SSC-159963
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
52817-12-6 / 6-bromo-4-oxochromene-3-carbaldehyde
Basic Information
CAS
52817-12-6
Multi CAS
Yes
Molecular Formula
C10H5BRO3
Molecular Weight
253.050000
Exact Mass
251.942210
InChI
InChI=1S/C10H5BrO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H
InChIKey
PCEZXSJBHMOQFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
55.57
TPSA
47.28
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
1.9
Consensus LogP
2.12
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
