![CAS 40106-14-7 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/40106-14-7.gif)
CAS RN: 40106-14-7
2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile(SALTDATA: FREE)
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.20250830 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40106-14-7
- Purity/Analytical Methods: >99.0%
40106-14-7 / 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Basic Information
CAS
40106-14-7
Multi CAS
No
Molecular Formula
C11H14N2S
Molecular Weight
206.310000
Exact Mass
206.087770
InChI
InChI=1S/C11H14N2S/c12-7-9-8-5-3-1-2-4-6-10(8)14-11(9)13/h1-6,13H2
InChIKey
FFMNIWGELAUZIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.55
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.32
TPSA
49.81
LogP / Solubility
WLOGP
2.86
MLOGP
2.52
XLogP3
3.8
Consensus LogP
3.06
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly 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)
-1.95
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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