![CAS 40106-15-8 2-AMINO-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIOPHENE-3-CARBOXAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/40106-15-8.gif)
CAS RN: 40106-15-8
2-AMINO-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIOPHENE-3-CARBOXAMIDE
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.20250222 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40106-15-8
- Purity/Analytical Methods: >99.0%
40106-15-8 / 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Basic Information
CAS
40106-15-8
Multi CAS
No
Molecular Formula
C11H16N2OS
Molecular Weight
224.320000
Exact Mass
224.098334
InChI
InChI=1S/C11H16N2OS/c12-10(14)9-7-5-3-1-2-4-6-8(7)15-11(9)13/h1-6,13H2,(H2,12,14)
InChIKey
XZCZLVCNYYVFKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.13
TPSA
69.11
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
3
Consensus LogP
2.31
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately 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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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