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CAS 53666-76-5 4-Hydroxy-5-methoxy-2H-1-benzopyran-2-one molecular structure lightbox
CAS RN: 53666-76-5

4-Hydroxy-5-methoxy-2H-1-benzopyran-2-one

  • Product code: SSC-161030
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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: 0.25g, 1g, 5g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 53666-76-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Shenzhen 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 Hong Kong Inquiry

53666-76-5 / 4-hydroxy-5-methoxychromen-2-one

Standard CAS: 53666-76-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53666-76-5
Multi CAS
No
Molecular Formula
C10H8O4
Molecular Weight
192.170000
Exact Mass
192.042259
InChI
InChI=1S/C10H8O4/c1-13-7-3-2-4-8-10(7)6(11)5-9(12)14-8/h2-5,11H,1H3
InChIKey
LFFCJEOKCYTBDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.7
TPSA
59.67

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
1.2
Consensus LogP
1.35
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.82

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

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