CAS RN: 639820-61-4
1-(1-ADAMANTYL)-3-(2,4,6-TRIMETHYLPHENYL)-4,5-DIHYDROIMIDAZOLIUM CHLORIDE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250913 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260207 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260409 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260420 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260226 | 50mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS639820-61-4
- Purity/Analytical Methods: >99.0%
639820-61-4 / 1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium chloride
Basic Information
CAS
639820-61-4
Multi CAS
Yes
Molecular Formula
C22H31CLN2
Molecular Weight
358.900000
Exact Mass
358.217577
InChI
InChI=1S/C22H31N2.ClH/c1-15-6-16(2)21(17(3)7-15)23-4-5-24(14-23)22-11-18-8-19(12-22)10-20(9-18)13-22;/h6-7,14,18-20H,4-5,8-13H2,1-3H3;1H/q+1;/p-1
InChIKey
MJOMRTQWLPXDJQ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
100.09
TPSA
6.25
LogP / Solubility
WLOGP
1.45
MLOGP
1.29
XLogP3
1.45
Consensus LogP
1.4
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8
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