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CAS 133662-20-1 1-(2-chlorophenyl)-2-hydroxyethanone molecular structure lightbox
CAS RN: 133662-20-1

1-(2-chlorophenyl)-2-hydroxyethanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250913 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-040553
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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: 1g, 5g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 133662-20-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
5g -- 1 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry
0.1g -- 0 Out of Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g -- 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

133662-20-1 / 1-(2-chlorophenyl)-2-hydroxyethanone

Standard CAS: 133662-20-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133662-20-1
Multi CAS
No
Molecular Formula
C8H7ClO2
Molecular Weight
170.590000
Exact Mass
170.013457
SMILES
C1=CC=C(C(=C1)C(=O)CO)Cl
InChI
InChI=1S/C8H7ClO2/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,10H,5H2
InChIKey
NJGXCDVXXRSHEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.87
TPSA
37.3

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
1.4
Consensus LogP
1.41
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-2.68

Drug-likeness / Medicinal Chemistry

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

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