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CAS 669-45-4 5-CHLORO-2,3-DIHYDRO-BENZOFURAN-3-YLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 669-45-4

5-CHLORO-2,3-DIHYDRO-BENZOFURAN-3-YLAMINE HYDROCHLORIDE

  • Product code: SSC-176551
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 669-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

669-45-4 / 5-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

Standard CAS: 669-45-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
669-45-4
Multi CAS
Yes
Molecular Formula
C8H9CL2NO
Molecular Weight
206.070000
Exact Mass
205.006119
InChI
InChI=1S/C8H8ClNO.ClH/c9-5-1-2-8-6(3-5)7(10)4-11-8;/h1-3,7H,4,10H2;1H
InChIKey
UYQLHGNVIKNTDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.12
TPSA
35.25

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
2.15
Consensus LogP
2.07
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

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

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