[email protected]
CAS 54311-48-7 5-CHLORO-4-HYDROXY-2H-CHROMEN-2-ONE molecular structure lightbox
CAS RN: 54311-48-7

5-CHLORO-4-HYDROXY-2H-CHROMEN-2-ONE

  • Product code: SSC-161943
GET A QUOTE
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, 0.25g, 5g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 54311-48-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 3 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

54311-48-7 / 5-chloro-4-hydroxychromen-2-one

Standard CAS: 54311-48-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54311-48-7
Multi CAS
No
Molecular Formula
C9H5CLO3
Molecular Weight
196.580000
Exact Mass
195.992722
InChI
InChI=1S/C9H5ClO3/c10-5-2-1-3-7-9(5)6(11)4-8(12)13-7/h1-4,11H
InChIKey
IEAZCJCNBVWFII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.16
TPSA
50.44

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
1.9
Consensus LogP
1.98
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us