CAS RN: 1072139-91-3
METHYL 3-(2-AMINO-4-METHOXYPYRIDIN-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.20250228 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1072139-91-3
- Purity/Analytical Methods: >99.0%
1072139-91-3 / methyl (E)-3-(2-amino-4-methoxy-3-pyridinyl)prop-2-enoate
Methyl 3-(2-amino-4-methoxypyridin-3-yl)acrylate | MFCD11052832 | methyl (E)-3-(2-amino-4-methoxypyridin-3-yl)prop-2-enoate
Basic Information
CAS
1072139-91-3
Multi CAS
Yes
Molecular Formula
C10H12N2O3
Molecular Weight
208.210000
Exact Mass
208.084792
SMILES
COC1=C(C(=NC=C1)N)/C=C/C(=O)OC
InChI
InChI=1S/C10H12N2O3/c1-14-8-5-6-12-10(11)7(8)3-4-9(13)15-2/h3-6H,1-2H3,(H2,11,12)/b4-3+
InChIKey
SESOIJQIRYUXGA-ONEGZZNKSA-N
Synonyms
Methyl 3-(2-amino-4-methoxypyridin-3-yl)acrylate
MFCD11052832
methyl (E)-3-(2-amino-4-methoxypyridin-3-yl)prop-2-enoate
SCHEMBL15018803
AKOS015854913
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
56.25
TPSA
74.44
LogP / Solubility
WLOGP
0.86
MLOGP
0.76
XLogP3
0.8
Consensus LogP
0.81
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
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)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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