CAS RN: 4815-35-4
2-AMINO-5-PHENYL-THIOPHENE-3-CARBOXYLIC ACID AMIDE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS4815-35-4
- Purity/Analytical Methods: >99.0%
4815-35-4 / 2-amino-5-phenylthiophene-3-carboxamide
Basic Information
CAS
4815-35-4
Multi CAS
Yes
Molecular Formula
C11H10N2OS
Molecular Weight
218.280000
Exact Mass
218.051384
InChI
InChI=1S/C11H10N2OS/c12-10(14)8-6-9(15-11(8)13)7-4-2-1-3-5-7/h1-6H,13H2,(H2,12,14)
InChIKey
UHEGYTDIDBFUJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.69
TPSA
69.11
LogP / Solubility
WLOGP
2.1
MLOGP
1.85
XLogP3
2.3
Consensus LogP
2.08
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-2.56
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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