CAS RN: 6068-72-0
4-Cyanobenzoyl Chloride
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250503 | 100g | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250318 | 10g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250527 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250313 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
| Batchno.20250421 | 25g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250913 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260621 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: ICTC1182
- Purity/Analytical Methods: >98.0%(GC)(T)
6068-72-0 / 4-cyanobenzoyl chloride
Basic Information
CAS
6068-72-0
Multi CAS
Yes
Molecular Formula
C8H4CLNO
Molecular Weight
165.570000
Exact Mass
164.998141
InChI
InChI=1S/C8H4ClNO/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4H
InChIKey
USEDMAWWQDFMFY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.34
TPSA
40.86
LogP / Solubility
WLOGP
1.94
MLOGP
1.7
XLogP3
2.5
Consensus LogP
2.05
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately 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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
