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CAS 312535-65-2 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile(WXC05673) molecular structure lightbox
CAS RN: 312535-65-2

3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile(WXC05673)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250601 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS312535-65-2
  • Purity/Analytical Methods: >99.0%
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312535-65-2 / 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile

Standard CAS: 312535-65-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
312535-65-2
Multi CAS
No
Molecular Formula
C12H13N3S
Molecular Weight
231.320000
Exact Mass
231.083019
InChI
InChI=1S/C12H13N3S/c1-4-8-6(2)10-11(14)9(5-13)16-12(10)15-7(8)3/h4,14H2,1-3H3
InChIKey
UUJGLZRXEIKCSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.6
TPSA
62.7

LogP / Solubility

WLOGP
2.93
MLOGP
2.58
XLogP3
3.7
Consensus LogP
3.07
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-2.05

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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