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CAS 72698-24-9 alpha-pyrone-4,6-dicarboxylic acid molecular structure lightbox
CAS RN: 72698-24-9

alpha-pyrone-4,6-dicarboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251028 50mg Out of stock Inquiry
  • Product code: SSC-182186
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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: 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 72698-24-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 3 In Stock Shanghai Inquiry
0.1g >95% 3 In Stock Hong Kong Inquiry
0.25g >95% 3 In Stock Shanghai Inquiry
1g >95% 3 In Stock Beijing Inquiry

72698-24-9 / 6-oxopyran-2,4-dicarboxylic acid

Standard CAS: 72698-24-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72698-24-9
Multi CAS
Yes
Molecular Formula
C7H4O6
Molecular Weight
184.100000
Exact Mass
184.000788
InChI
InChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)
InChIKey
VRMXCPVFSJVVCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.9
TPSA
104.81

LogP / Solubility

WLOGP
0.04
MLOGP
0.03
XLogP3
-0.2
Consensus LogP
-0.04
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82

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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