CAS RN: 465515-36-0
1-Benzothiophene-3-carboximidamidine 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.20250604 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS465515-36-0
- Purity/Analytical Methods: >99.0%
465515-36-0 / 1-benzothiophene-3-carboximidamide;hydrate;hydrochloride
Basic Information
CAS
465515-36-0
Multi CAS
Yes
Molecular Formula
C9H11CLN2OS
Molecular Weight
230.720000
Exact Mass
230.028062
InChI
InChI=1S/C9H8N2S.ClH.H2O/c10-9(11)7-5-12-8-4-2-1-3-6(7)8;;/h1-5H,(H3,10,11);1H;1H2
InChIKey
DCDNRDYUSJNDGA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.7
TPSA
81.37
LogP / Solubility
WLOGP
1.78
MLOGP
1.57
XLogP3
1.78
Consensus LogP
1.71
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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