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CAS 20931-50-4 2,2,6,6-TetraMethyltetrahydro-2H-pyran-4-ol molecular structure lightbox
CAS RN: 20931-50-4

2,2,6,6-TetraMethyltetrahydro-2H-pyran-4-ol

  • Product code: SSC-099116
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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, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 12
  • 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 20931-50-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g -- 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g -- 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shanghai Inquiry
10g -- 1 In Stock Shanghai Inquiry
10g >97% 1 In Stock Shanghai Inquiry
25g -- 1 In Stock Shenzhen Inquiry
25g >97% 1 In Stock Hong Kong Inquiry

20931-50-4 / 2,2,6,6-tetramethyloxan-4-ol

Standard CAS: 20931-50-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20931-50-4
Multi CAS
No
Molecular Formula
C9H18O2
Molecular Weight
158.240000
Exact Mass
158.130680
SMILES
CC1(CC(CC(O1)(C)C)O)C
InChI
InChI=1S/C9H18O2/c1-8(2)5-7(10)6-9(3,4)11-8/h7,10H,5-6H2,1-4H3
InChIKey
DWCANAGJFMTPNA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.48
TPSA
29.46

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.2
Consensus LogP
1.47
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-2.47

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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