CAS RN: 1708975-40-9
ethyl 2-((2-aminoethyl)(methyl)amino)acetate hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251018 | 250mg / 500mg / 1g | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1708975-40-9
- Purity/Analytical Methods: >99.0%
1708975-40-9 / ethyl 2-[2-aminoethyl(methyl)amino]acetate;dihydrochloride
Basic Information
CAS
1708975-40-9
Multi CAS
No
Molecular Formula
C7H18Cl2N2O2
Molecular Weight
233.130000
Exact Mass
232.074533
SMILES
CCOC(=O)CN(C)CCN.Cl.Cl
InChI
InChI=1S/C7H16N2O2.2ClH/c1-3-11-7(10)6-9(2)5-4-8;;/h3-6,8H2,1-2H3;2*1H
InChIKey
RYPRJVDSCQDQDD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.68
TPSA
55.56
LogP / Solubility
WLOGP
0.28
MLOGP
0.25
XLogP3
0.28
Consensus LogP
0.27
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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