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CAS 145122-43-6 2,2-DIMETHYL(2-TETRAHYDROFURYLIDENE)-1,3-DIOXANE-4,6-DIONE molecular structure lightbox
CAS RN: 145122-43-6

2,2-DIMETHYL(2-TETRAHYDROFURYLIDENE)-1,3-DIOXANE-4,6-DIONE

  • Product code: SSC-056505
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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: 1g, 5g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 145122-43-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

145122-43-6 / 2,2-dimethyl-5-(oxolan-2-ylidene)-1,3-dioxane-4,6-dione

Standard CAS: 145122-43-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145122-43-6
Multi CAS
No
Molecular Formula
C10H12O5
Molecular Weight
212.200000
Exact Mass
212.068473
SMILES
CC1(OC(=O)C(=C2CCCO2)C(=O)O1)C
InChI
InChI=1S/C10H12O5/c1-10(2)14-8(11)7(9(12)15-10)6-4-3-5-13-6/h3-5H2,1-2H3
InChIKey
JSUMRUSDCOEXFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.6
H-bond acceptors
5
Molar refractivity
48.48
TPSA
61.83

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
1.3
Consensus LogP
0.99
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-3.38

Drug-likeness / Medicinal Chemistry

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

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