[email protected]
CAS 274918-15-9 2-(5-chloro-1-benzothiophen-3-yl)ethanamine molecular structure lightbox
CAS RN: 274918-15-9

2-(5-chloro-1-benzothiophen-3-yl)ethanamine

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250101 100mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251130 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260602 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS274918-15-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

274918-15-9 / 2-(5-chloro-1-benzothiophen-3-yl)ethanamine

Standard CAS: 274918-15-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
274918-15-9
Multi CAS
No
Molecular Formula
C10H10CLNS
Molecular Weight
211.710000
Exact Mass
211.022248
InChI
InChI=1S/C10H10ClNS/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6H,3-4,12H2
InChIKey
QTODCBPICKEITJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.59
TPSA
26.02

LogP / Solubility

WLOGP
3.06
MLOGP
2.69
XLogP3
2.9
Consensus LogP
2.88
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us