CAS RN: 163769-71-9
2,2-dichloro-N-(2,2-dimethoxyethyl)acetimidamide
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.20251207 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS163769-71-9
- Purity/Analytical Methods: >99.0%
163769-71-9 / 2,2-dichloro-N'-(2,2-dimethoxyethyl)ethanimidamide
Basic Information
CAS
163769-71-9
Multi CAS
No
Molecular Formula
C6H12Cl2N2O2
Molecular Weight
215.070000
Exact Mass
214.027583
SMILES
COC(CN=C(C(Cl)Cl)N)OC
InChI
InChI=1S/C6H12Cl2N2O2/c1-11-4(12-2)3-10-6(9)5(7)8/h4-5H,3H2,1-2H3,(H2,9,10)
InChIKey
DYIQJKXZMHPRLW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.79
TPSA
56.84
LogP / Solubility
WLOGP
0.77
MLOGP
0.68
XLogP3
0.5
Consensus LogP
0.65
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-3.49
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
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