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CAS 130569-31-2 5,6-DICHLORO-2,3-DIHYDRO-1H-INDEN-1-OL molecular structure lightbox
CAS RN: 130569-31-2

5,6-DICHLORO-2,3-DIHYDRO-1H-INDEN-1-OL

  • Product code: SSC-037185
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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: >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 130569-31-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
1g >97% 2 In Stock Shenzhen Inquiry

130569-31-2 / 5,6-dichloro-2,3-dihydro-1H-inden-1-ol

Standard CAS: 130569-31-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130569-31-2
Multi CAS
No
Molecular Formula
C9H8Cl2O
Molecular Weight
203.060000
Exact Mass
201.995220
SMILES
C1CC2=CC(=C(C=C2C1O)Cl)Cl
InChI
InChI=1S/C9H8Cl2O/c10-7-3-5-1-2-9(12)6(5)4-8(7)11/h3-4,9,12H,1-2H2
InChIKey
BVMSVJNZBKHOLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.74
TPSA
20.23

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
2.7
Consensus LogP
2.76
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85

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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