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CAS 5337-04-2 tetrahydropyran-4,4-dicarboxylic acid molecular structure lightbox
CAS RN: 5337-04-2

tetrahydropyran-4,4-dicarboxylic acid

  • Product code: SSC-160684
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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, 0.1g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 5337-04-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 3 In Stock Shenzhen Inquiry
1g >97% 3 In Stock Hong Kong Inquiry
0.1g -- 2 In Stock Hong Kong Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g -- 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

5337-04-2 / oxane-4,4-dicarboxylic acid

Standard CAS: 5337-04-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5337-04-2
Multi CAS
Yes
Molecular Formula
C7H10O5
Molecular Weight
174.150000
Exact Mass
174.052823
InChI
InChI=1S/C7H10O5/c8-5(9)7(6(10)11)1-3-12-4-2-7/h1-4H2,(H,8,9)(H,10,11)
InChIKey
LAHAPBJSVSVFGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
37.76
TPSA
83.83

LogP / Solubility

WLOGP
-0.05
MLOGP
-0.04
XLogP3
-0.3
Consensus LogP
-0.13
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82

Drug-likeness / Medicinal Chemistry

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

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