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CAS 39161-17-6 2,2-Dimethyltetrahydrofuran-3-carboxylic acid molecular structure lightbox
CAS RN: 39161-17-6

2,2-Dimethyltetrahydrofuran-3-carboxylic acid

  • Product code: SSC-146785
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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
  • 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 39161-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Shanghai Inquiry

39161-17-6 / 2,2-dimethyloxolane-3-carboxylic acid

Standard CAS: 39161-17-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39161-17-6
Multi CAS
No
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
InChI
InChI=1S/C7H12O3/c1-7(2)5(6(8)9)3-4-10-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
UMNSNBRDICMZHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.77
TPSA
46.53

LogP / Solubility

WLOGP
0.89
MLOGP
0.77
XLogP3
0.4
Consensus LogP
0.69
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-2.97

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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