CAS RN: 637-61-6
p-Quinone-4-chloroimide
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-173438
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 |
637-61-6 / 4-chloroiminocyclohexa-2,5-dien-1-one
Basic Information
CAS
637-61-6
Multi CAS
Yes
Molecular Formula
C6H4CLNO
Molecular Weight
141.550000
Exact Mass
140.998141
InChI
InChI=1S/C6H4ClNO/c7-8-5-1-3-6(9)4-2-5/h1-4H
InChIKey
ITUYMTWJWYTELW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
H-bond acceptors
2
Molar refractivity
36.58
TPSA
29.43
LogP / Solubility
WLOGP
1.28
MLOGP
1.12
XLogP3
1.3
Consensus LogP
1.23
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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