CAS RN: 68797-57-9
Imidazole-epichlorohydrin copolymer
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.20260125 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS68797-57-9
- Purity/Analytical Methods: >99.0%
68797-57-9 / 2-(chloromethyl)oxirane;1H-imidazole
Basic Information
CAS
68797-57-9
Multi CAS
No
Molecular Formula
C6H9CLN2O
Molecular Weight
160.600000
Exact Mass
160.040341
InChI
InChI=1S/C3H5ClO.C3H4N2/c4-1-3-2-5-3;1-2-5-3-4-1/h3H,1-2H2;1-3H,(H,4,5)
InChIKey
SDKQKTMVNUGBPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.05
TPSA
41.21
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
XLogP3
1.03
Consensus LogP
0.99
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
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)
-2.97
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
2
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