![CAS 802025-35-0 2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/802025-35-0.gif)
CAS RN: 802025-35-0
2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
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.20260203 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS802025-35-0
- Purity/Analytical Methods: >99.0%
802025-35-0 / 2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
Basic Information
CAS
802025-35-0
Multi CAS
Yes
Molecular Formula
C8H9N3S
Molecular Weight
179.240000
Exact Mass
179.051718
InChI
InChI=1S/C8H9N3S/c9-3-6-5-1-2-11-4-7(5)12-8(6)10/h11H,1-2,4,10H2
InChIKey
QTDAGJYOIHDOMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.38
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.86
TPSA
61.84
LogP / Solubility
WLOGP
0.85
MLOGP
0.74
XLogP3
1
Consensus LogP
0.86
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
Class (SILICOS-IT)
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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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