![CAS 942358-78-3 3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/942358-78-3.gif)
CAS RN: 942358-78-3
3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250108 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS942358-78-3
- Purity/Analytical Methods: >99.0%
942358-78-3 / 3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile
Basic Information
CAS
942358-78-3
Multi CAS
No
Molecular Formula
C10F2H7N3S
Molecular Weight
239.250000
Exact Mass
239.032875
InChI
InChI=1S/C10H7F2N3S/c1-4-2-5(9(11)12)15-10-7(4)8(14)6(3-13)16-10/h2,9H,14H2,1H3
InChIKey
OVBINNUMUBUJIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.44
TPSA
62.7
LogP / Solubility
WLOGP
3
MLOGP
2.64
XLogP3
3.1
Consensus LogP
2.91
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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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