CAS RN: 4749-61-5
ST-91
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260314 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS4749-61-5
- Purity/Analytical Methods: >99.0%
4749-61-5 / N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride
Basic Information
CAS
4749-61-5
Multi CAS
Yes
Molecular Formula
C13H20CLN3
Molecular Weight
253.770000
Exact Mass
253.134575
InChI
InChI=1S/C13H19N3.ClH/c1-3-10-6-5-7-11(4-2)12(10)16-13-14-8-9-15-13;/h5-7H,3-4,8-9H2,1-2H3,(H2,14,15,16);1H
InChIKey
ZLRWFGBEDNTMEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
3
Molar refractivity
67.66
TPSA
38.03
LogP / Solubility
WLOGP
-2.73
MLOGP
-2.4
XLogP3
-2.73
Consensus LogP
-2.62
Log S (ESOL)
0.25
Class (ESOL)
Highly soluble
Log S (Ali)
0.33
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.6
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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