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CAS 872047-43-3 C-Benzo[b]thiophen-5-yl-methylamine hydrochloride molecular structure lightbox
CAS RN: 872047-43-3

C-Benzo[b]thiophen-5-yl-methylamine hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250803 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS872047-43-3
  • Purity/Analytical Methods: >99.0%
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872047-43-3 / 1-benzothiophen-5-ylmethanamine;hydrochloride

Standard CAS: 872047-43-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
872047-43-3
Multi CAS
No
Molecular Formula
C9H10CLNS
Molecular Weight
199.700000
Exact Mass
199.022248
InChI
InChI=1S/C9H9NS.ClH/c10-6-7-1-2-9-8(5-7)3-4-11-9;/h1-5H,6,10H2;1H
InChIKey
BDJFPWOXHDMOEK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.96
TPSA
26.02

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.78
Consensus LogP
2.67
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-1.96

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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