CAS RN: 350996-89-3
2-AMINO-4-ETHYL-5-METHYLTHIOPHENE-3-CARBOXAMIDE
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS350996-89-3
- Purity/Analytical Methods: >99.0%
350996-89-3 / 2-amino-4-ethyl-5-methylthiophene-3-carboxamide
Basic Information
CAS
350996-89-3
Multi CAS
No
Molecular Formula
C8H12N2OS
Molecular Weight
184.260000
Exact Mass
184.067034
InChI
InChI=1S/C8H12N2OS/c1-3-5-4(2)12-8(10)6(5)7(9)11/h3,10H2,1-2H3,(H2,9,11)
InChIKey
VZADYXDHUSEPID-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.36
TPSA
69.11
LogP / Solubility
WLOGP
1.3
MLOGP
1.14
XLogP3
1.9
Consensus LogP
1.45
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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