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CAS 220809-37-0 2H-Pyran-2-one,4-hydroxy-6-(1-methylethyl)-(9CI) molecular structure lightbox
CAS RN: 220809-37-0

2H-Pyran-2-one,4-hydroxy-6-(1-methylethyl)-(9CI)

  • Product code: SSC-106234
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 220809-37-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

220809-37-0 / 4-hydroxy-6-propan-2-ylpyran-2-one

Standard CAS: 220809-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220809-37-0
Multi CAS
No
Molecular Formula
C8H10O3
Molecular Weight
154.160000
Exact Mass
154.062994
SMILES
CC(C)C1=CC(=CC(=O)O1)O
InChI
InChI=1S/C8H10O3/c1-5(2)7-3-6(9)4-8(10)11-7/h3-5,9H,1-2H3
InChIKey
QJQGKFBKKILFFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.73
TPSA
50.44

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
1.3
Consensus LogP
1.35
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-2.62

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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