CAS RN: 37441-29-5
5-Amino-2,4,6-triiodoisophthaloyl Dichloride
Product Availability
Choose a grade to view its available package options.
8 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251028 | 100g | Out of stock | Inquiry | |
| Batchno.20260103 | 1g | Out of stock | Inquiry | |
| Batchno.20250707 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20250117 | 25g | Out of stock | Inquiry | |
| Batchno.20250317 | 5g | Out of stock | Inquiry |
- Product code: ICTA2854
- Purity/Analytical Methods: >96.0%(GC)
37441-29-5 / 5-amino-2,4,6-triiodobenzene-1,3-dicarbonyl chloride
Basic Information
CAS
37441-29-5
Multi CAS
No
Molecular Formula
C8H2CL2I3NO2
Molecular Weight
595.720000
Exact Mass
594.659700
InChI
InChI=1S/C8H2Cl2I3NO2/c9-7(15)1-3(11)2(8(10)16)5(13)6(14)4(1)12/h14H2
InChIKey
FBJVWRITWDYUAC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
89.37
TPSA
60.16
LogP / Solubility
WLOGP
3.84
MLOGP
3.43
XLogP3
4.2
Consensus LogP
3.82
Log S (ESOL)
-6.1
Class (ESOL)
Insoluble
Log S (Ali)
-7.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.96
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.63
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
Customers Also Viewed
-
-
3-Chloropivaloyl Chloride
- CAS RN: 4300-97-4
- Product Code: ICTC1243
- Purity/Analytical method: >97.0%(GC)(T)
-
3-Chloropropionyl Chloride
- CAS RN: 625-36-5
- Product Code: ICTC0654
- Purity/Analytical method: >98.0%(T)
-
-
-
