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CAS 2217-33-6 Tetrahydrofurfuryl Butyrate molecular structure lightbox
CAS RN: 2217-33-6

Tetrahydrofurfuryl Butyrate

  • Product code: SSC-106657
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25ml
  • Available purity: 0
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2217-33-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml 0 0 Out of Stock Shenzhen Inquiry

2217-33-6 / oxolan-2-ylmethyl butanoate

Standard CAS: 2217-33-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2217-33-6
Multi CAS
No
Molecular Formula
C9H16O3
Molecular Weight
172.220000
Exact Mass
172.109944
SMILES
CCCC(=O)OCC1CCCO1
InChI
InChI=1S/C9H16O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h8H,2-7H2,1H3
InChIKey
DPZVDLFOAZNCBU-UHFFFAOYSA-N

Physical Properties

Density
1.007-1.013
Physical Description
Colourless liquid; Heavy sweet aroma reminiscent of apricot and pineapple
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
44.84
TPSA
35.53

LogP / Solubility

WLOGP
1.51
MLOGP
1.32
XLogP3
1.4
Consensus LogP
1.41
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-2.7

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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