CAS RN: 68301-77-9
2-Amino-6-chloro-3-formylchromone
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock2 grade groups
- Product code: SSC-178039
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 |
68301-77-9 / 2-amino-6-chloro-4-oxochromene-3-carbaldehyde
Basic Information
CAS
68301-77-9
Multi CAS
Yes
Molecular Formula
C10H6CLNO3
Molecular Weight
223.610000
Exact Mass
223.003621
InChI
InChI=1S/C10H6ClNO3/c11-5-1-2-8-6(3-5)9(14)7(4-13)10(12)15-8/h1-4H,12H2
InChIKey
GCFVPLUXLQEQJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.29
TPSA
73.3
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.9
Consensus LogP
1.79
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
