![CAS 1420832-66-1 [(6-Chloro-pyridin-3-ylMethyl)-ethyl-aMino]-acetic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1420832-66-1.gif)
CAS RN: 1420832-66-1
[(6-Chloro-pyridin-3-ylMethyl)-ethyl-aMino]-acetic acid ethyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250111 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1420832-66-1
- Purity/Analytical Methods: >99.0%
1420832-66-1 / ethyl 2-[(6-chloro-3-pyridinyl)methyl-ethylamino]acetate
Basic Information
CAS
1420832-66-1
Multi CAS
No
Molecular Formula
C12H17ClN2O2
Molecular Weight
256.730000
Exact Mass
256.097856
SMILES
CCN(CC1=CN=C(C=C1)Cl)CC(=O)OCC
InChI
InChI=1S/C12H17ClN2O2/c1-3-15(9-12(16)17-4-2)8-10-5-6-11(13)14-7-10/h5-7H,3-4,8-9H2,1-2H3
InChIKey
AICFFGVCVDFOJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
66.83
TPSA
42.43
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
2.3
Consensus LogP
2.1
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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