CAS RN: 773131-96-7
3-(4-AMINOPYRIDIN-3-YL)ACRYLIC ACID
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.20250201 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS773131-96-7
- Purity/Analytical Methods: >99.0%
773131-96-7 / (E)-3-(2-amino-3-pyridinyl)prop-2-enoic acid
Basic Information
CAS
773131-96-7
Multi CAS
Yes
Molecular Formula
C8H8N2O2
Molecular Weight
164.160000
Exact Mass
164.058578
InChI
InChI=1S/C8H8N2O2/c9-8-6(2-1-5-10-8)3-4-7(11)12/h1-5H,(H2,9,10)(H,11,12)/b4-3+
InChIKey
HKUVFKTUMTYXQT-ONEGZZNKSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.32
TPSA
76.21
LogP / Solubility
WLOGP
0.76
MLOGP
0.67
XLogP3
0.5
Consensus LogP
0.64
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.18
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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