CAS RN: 131674-41-4
3-(2-METHOXYPYRIDIN-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.20250322 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS131674-41-4
- Purity/Analytical Methods: >99.0%
131674-41-4 / (E)-3-(2-methoxy-3-pyridinyl)prop-2-enoic acid
Basic Information
CAS
131674-41-4
Multi CAS
No
Molecular Formula
C9H9NO3
Molecular Weight
179.170000
Exact Mass
179.058243
SMILES
COC1=C(C=CC=N1)/C=C/C(=O)O
InChI
InChI=1S/C9H9NO3/c1-13-9-7(3-2-6-10-9)4-5-8(11)12/h2-6H,1H3,(H,11,12)/b5-4+
InChIKey
MTVRDAQJMCORAQ-SNAWJCMRSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.46
TPSA
59.42
LogP / Solubility
WLOGP
1.19
MLOGP
1.04
XLogP3
1.1
Consensus LogP
1.11
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
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)
-2.97
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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