CAS RN: 33533-99-2
6-Chlorochromone
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
- Product code: SSC-139664
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: 25g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
33533-99-2 / 6-chlorochromen-4-one
Basic Information
CAS
33533-99-2
Multi CAS
Yes
Molecular Formula
C9H5CLO2
Molecular Weight
180.590000
Exact Mass
179.997807
InChI
InChI=1S/C9H5ClO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
InChIKey
VFZQATFTQAZCMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
47.49
TPSA
30.21
LogP / Solubility
WLOGP
2.45
MLOGP
2.15
XLogP3
2.4
Consensus LogP
2.33
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
