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CAS 147992-87-8 3-amino-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide molecular structure lightbox
CAS RN: 147992-87-8

3-amino-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260131 5g / 10g / 25g Out of stock 1 business days Inquiry
  • Product code: starshine_CAS147992-87-8
  • Purity/Analytical Methods: >99.0%
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147992-87-8 / 3-amino-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide

Standard CAS: 147992-87-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
147992-87-8
Multi CAS
No
Molecular Formula
C10H12N4OS
Molecular Weight
236.300000
Exact Mass
236.073182
SMILES
CN(C)C1=C2C(=C(SC2=NC=C1)C(=O)N)N
InChI
InChI=1S/C10H12N4OS/c1-14(2)5-3-4-13-10-6(5)7(11)8(16-10)9(12)15/h3-4H,11H2,1-2H3,(H2,12,15)
InChIKey
APQCIRNWAACMSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
66.88
TPSA
85.24

LogP / Solubility

WLOGP
1.04
MLOGP
0.92
XLogP3
1.4
Consensus LogP
1.12
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42

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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