CAS RN: 57265-65-3
CALMIDAZOLIUM CHLORIDE
Product Availability
Choose a grade to view its available package options.
9 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260624 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260529 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260607 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260616 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250121 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250718 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS57265-65-3
- Purity/Analytical Methods: >99.0%
57265-65-3 / 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium chloride
Basic Information
CAS
57265-65-3
Multi CAS
Yes
Molecular Formula
C31H23CL7N2O
Molecular Weight
687.700000
Exact Mass
685.960057
InChI
InChI=1S/C31H23Cl6N2O.ClH/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36;/h1-16,19,30-31H,17-18H2;1H/q+1;/p-1
InChIKey
YGEIMSMISRCBFF-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
29
Fraction Csp3
0.13
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
165.23
TPSA
18.04
LogP / Solubility
WLOGP
7.3
MLOGP
6.48
XLogP3
7.3
Consensus LogP
7.03
Log S (ESOL)
-8.63
Class (ESOL)
Insoluble
Log S (Ali)
-10.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.27
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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