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CAS 52916-16-2 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid molecular structure lightbox
CAS RN: 52916-16-2

2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid

  • Product code: SSC-160068
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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: >97%
  • 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 52916-16-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry

52916-16-2 / 2,2-dimethyloxane-4-carboxylic acid

Standard CAS: 52916-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52916-16-2
Multi CAS
No
Molecular Formula
C8H14O3
Molecular Weight
158.190000
Exact Mass
158.094294
InChI
InChI=1S/C8H14O3/c1-8(2)5-6(7(9)10)3-4-11-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
GRROPKFZKZZTQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.39
TPSA
46.53

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
0.7
Consensus LogP
1.03
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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