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CAS 179096-59-4 2-(tetrahydropyran-4-yl)propan-2-ol molecular structure lightbox
CAS RN: 179096-59-4

2-(tetrahydropyran-4-yl)propan-2-ol

  • Product code: SSC-079799
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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: 1g
  • Available purity: ＞97%
  • 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 179096-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

179096-59-4 / 2-(oxan-4-yl)propan-2-ol

Standard CAS: 179096-59-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
179096-59-4
Multi CAS
No
Molecular Formula
C8H16O2
Molecular Weight
144.210000
Exact Mass
144.115030
SMILES
CC(C)(C1CCOCC1)O
InChI
InChI=1S/C8H16O2/c1-8(2,9)7-3-5-10-6-4-7/h7,9H,3-6H2,1-2H3
InChIKey
QTYOMTKXFBGPTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.84
TPSA
29.46

LogP / Solubility

WLOGP
1.18
MLOGP
1.04
XLogP3
0.8
Consensus LogP
1.01
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-2.76

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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