![CAS 70733-09-4 2-Amino-5-Methyl-4,5,6,7-Tetrahydrobenzo[B]Thiophene-3-Carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/70733-09-4.gif)
CAS RN: 70733-09-4
2-Amino-5-Methyl-4,5,6,7-Tetrahydrobenzo[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.20260124 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS70733-09-4
- Purity/Analytical Methods: >99.0%
70733-09-4 / 2-amino-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Basic Information
CAS
70733-09-4
Multi CAS
No
Molecular Formula
C10H14N2OS
Molecular Weight
210.300000
Exact Mass
210.082684
InChI
InChI=1S/C10H14N2OS/c1-5-2-3-7-6(4-5)8(9(11)13)10(12)14-7/h5H,2-4,12H2,1H3,(H2,11,13)
InChIKey
MCIXNCZSSYQKMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.44
TPSA
69.11
LogP / Solubility
WLOGP
1.55
MLOGP
1.37
XLogP3
2.2
Consensus LogP
1.71
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.9
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
2
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