CAS RN: 910629-24-2

(αS)-Tetrahydro-α-phenyl-2H-pyran-4-methanol

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Batchno.20250126 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS910629-24-2
  • Purity/Analytical Methods: >99.0%
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910629-24-2 / oxan-4-yl(phenyl)methanol

Standard CAS: 910629-24-2 Multi CAS: Yes

Basic Information

CAS
910629-24-2
Multi CAS
Yes
Molecular Formula
C12H16O2
Molecular Weight
192.250000
Exact Mass
192.115030
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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