CAS RN: 179625-70-8
methyl (E)-3-(6-aminopyridin-3-yl)acrylate
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.20250822 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS179625-70-8
- Purity/Analytical Methods: >99.0%
179625-70-8 / methyl (E)-3-(6-amino-3-pyridinyl)prop-2-enoate
Basic Information
CAS
179625-70-8
Multi CAS
No
Molecular Formula
C9H10N2O2
Molecular Weight
178.190000
Exact Mass
178.074228
SMILES
COC(=O)/C=C/C1=CN=C(C=C1)N
InChI
InChI=1S/C9H10N2O2/c1-13-9(12)5-3-7-2-4-8(10)11-6-7/h2-6H,1H3,(H2,10,11)/b5-3+
InChIKey
SIURSMPFFMLOEH-HWKANZROSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.7
TPSA
65.21
LogP / Solubility
WLOGP
0.85
MLOGP
0.75
XLogP3
0.8
Consensus LogP
0.8
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-3.2
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
1.5
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