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CAS 3710-47-2 1-(1-Benzofuran-2-yl)-1-ethanamine hydrochloride molecular structure lightbox
CAS RN: 3710-47-2

1-(1-Benzofuran-2-yl)-1-ethanamine hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250416 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS3710-47-2
  • Purity/Analytical Methods: >99.0%
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3710-47-2 / 1-(1-benzofuran-2-yl)ethanamine;hydrochloride

Standard CAS: 3710-47-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3710-47-2
Multi CAS
No
Molecular Formula
C10H12CLNO
Molecular Weight
197.660000
Exact Mass
197.060742
InChI
InChI=1S/C10H11NO.ClH/c1-7(11)10-6-8-4-2-3-5-9(8)12-10;/h2-7H,11H2,1H3;1H
InChIKey
XOFRZNVJGNVDIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.06
TPSA
39.16

LogP / Solubility

WLOGP
2.87
MLOGP
2.53
XLogP3
2.87
Consensus LogP
2.76
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-1.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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