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CAS 216087-92-2 phenyl(tetrahydro-2H-pyran-4-yl)Methanol molecular structure lightbox
CAS RN: 216087-92-2

phenyl(tetrahydro-2H-pyran-4-yl)Methanol

  • Product code: SSC-103555
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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
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • 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 216087-92-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Beijing Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry

216087-92-2 / oxan-4-yl(phenyl)methanol

Standard CAS: 216087-92-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216087-92-2
Multi CAS
No
Molecular Formula
C12H16O2
Molecular Weight
192.250000
Exact Mass
192.115030
SMILES
C1COCCC1C(C2=CC=CC=C2)O
InChI
InChI=1S/C12H16O2/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-5,11-13H,6-9H2
InChIKey
DAXAFMSSNPTLPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.94
TPSA
29.46

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
1.7
Consensus LogP
1.91
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-2.37

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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