![CAS 13584-65-1 Benzo[b]thiophen-2-aMine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/13584-65-1.gif)
CAS RN: 13584-65-1
Benzo[b]thiophen-2-aMine hydrochloride
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.20260614 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS13584-65-1
- Purity/Analytical Methods: >99.0%
13584-65-1 / 1-benzothiophen-2-amine;hydrochloride
Basic Information
CAS
13584-65-1
Multi CAS
No
Molecular Formula
C8H8ClNS
Molecular Weight
185.670000
Exact Mass
185.006598
SMILES
C1=CC=C2C(=C1)C=C(S2)N.Cl
InChI
InChI=1S/C8H7NS.ClH/c9-8-5-6-3-1-2-4-7(6)10-8;/h1-5H,9H2;1H
InChIKey
XPPUOZUUOFQHKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.49
TPSA
26.02
LogP / Solubility
WLOGP
2.91
MLOGP
2.55
XLogP3
2.91
Consensus LogP
2.79
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79
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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