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CAS 5590-44-3 5-chloro-2,3-dihydro-benzofuran-3-ol molecular structure lightbox
CAS RN: 5590-44-3

5-chloro-2,3-dihydro-benzofuran-3-ol

  • Product code: SSC-163854
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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
  • Available purity: >95%
  • 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 5590-44-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shanghai Inquiry

5590-44-3 / 5-chloro-2,3-dihydro-1-benzofuran-3-ol

Standard CAS: 5590-44-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5590-44-3
Multi CAS
No
Molecular Formula
C8H7CLO2
Molecular Weight
170.590000
Exact Mass
170.013457
InChI
InChI=1S/C8H7ClO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3,7,10H,4H2
InChIKey
ZSLZIDPXEPQVEH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.91
TPSA
29.46

LogP / Solubility

WLOGP
1.77
MLOGP
1.55
XLogP3
2.1
Consensus LogP
1.81
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.51

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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