CAS RN: 39178-35-3
Isonicotinoyl Chloride Hydrochloride
Product Availability
Choose a grade to view its available package options.
15 package records13 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250212 | 100g | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20260110 | 100g | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20250827 | 2.5kg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250114 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20260615 | 25g | In stock | Shanghai, Shandong, Chongqing | Inquiry | |
| Batchno.20260523 | 500g | In stock | Shanghai | Inquiry | |
| Batchno.20250117 | 500g | In stock | Shanghai | Inquiry | |
| Batchno.20260518 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20260212 | 5g | In stock | Guangdong, Chongqing | Inquiry |
- Product code: ICTI0144
- Purity/Analytical Methods: >95.0%(T)
39178-35-3 / pyridine-4-carbonyl chloride;hydrochloride
Basic Information
CAS
39178-35-3
Multi CAS
Yes
Molecular Formula
C6H5CL2NO
Molecular Weight
178.010000
Exact Mass
176.974819
InChI
InChI=1S/C6H4ClNO.ClH/c7-6(9)5-1-3-8-4-2-5;/h1-4H;1H
InChIKey
BNTRVUUJBGBGLZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.67
TPSA
29.96
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
1.88
Consensus LogP
1.8
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.47
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
