CAS RN: 1427475-14-6
Methyl 2-AMino-2-(4-pyridyl)acetate Dihydrochloride
- Product code: SSC-053929
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 5 In Stock | Beijing | Inquiry |
| 1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 5g | >95% | 4 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 3 In Stock | Shenzhen | Inquiry |
1427475-14-6 / methyl 2-amino-2-pyridin-4-ylacetate;dihydrochloride
Basic Information
CAS
1427475-14-6
Multi CAS
No
Molecular Formula
C8H12Cl2N2O2
Molecular Weight
239.100000
Exact Mass
238.027583
SMILES
COC(=O)C(C1=CC=NC=C1)N.Cl.Cl
InChI
InChI=1S/C8H10N2O2.2ClH/c1-12-8(11)7(9)6-2-4-10-5-3-6;;/h2-5,7H,9H2,1H3;2*1H
InChIKey
ZLQBNTCOCJOQIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.68
TPSA
65.21
LogP / Solubility
WLOGP
1.1
MLOGP
0.97
XLogP3
1.1
Consensus LogP
1.06
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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