CAS RN: 1019521-30-2
methyl 2-amino-4-(pyridin-2-yl)thiophene-3-carboxylate
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.20260517 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1019521-30-2
- Purity/Analytical Methods: >99.0%
1019521-30-2 / methyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate
Methyl 2-amino-4-(pyridin-2-yl)thiophene-3-carboxylate | MFCD11136556 | methyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate
Basic Information
CAS
1019521-30-2
Multi CAS
No
Molecular Formula
C11H10N2O2S
Molecular Weight
234.280000
Exact Mass
234.046299
SMILES
COC(=O)C1=C(SC=C1C2=CC=CC=N2)N
InChI
InChI=1S/C11H10N2O2S/c1-15-11(14)9-7(6-16-10(9)12)8-4-2-3-5-13-8/h2-6H,12H2,1H3
InChIKey
NXMHKBKXAJMVPT-UHFFFAOYSA-N
Synonyms
Methyl 2-amino-4-(pyridin-2-yl)thiophene-3-carboxylate
MFCD11136556
methyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate
AKOS000220676
AS-41184
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.3
TPSA
65.21
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
2.3
Consensus LogP
2.13
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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