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CAS 28466-95-7 6-Hydroxy-4-oxo-4H-1-benzopyran-2-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 28466-95-7

6-Hydroxy-4-oxo-4H-1-benzopyran-2-carboxylic acid ethyl ester

  • Product code: SSC-129831
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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: 0.05g, 0.1g, 0.25g, 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 28466-95-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g -- 1 In Stock Shenzhen Inquiry
0.05g >95% 1 In Stock Beijing Inquiry
0.1g -- 1 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g -- 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

28466-95-7 / ethyl 6-hydroxy-4-oxochromene-2-carboxylate

Standard CAS: 28466-95-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28466-95-7
Multi CAS
Yes
Molecular Formula
C12H10O5
Molecular Weight
234.200000
Exact Mass
234.052823
InChI
InChI=1S/C12H16N4O/c1-16-4-2-10(3-5-16)17-11-6-12(14)15-8-9(11)7-13/h6,8,10H,2-5H2,1H3,(H2,14,15)
InChIKey
LALSQERHEXVKJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.11
TPSA
76.74

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
2
Consensus LogP
1.72
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.96

Drug-likeness / Medicinal Chemistry

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

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