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CAS 2186-24-5 2-P-TOLYLOXYMETHYL-OXIRANE molecular structure lightbox
CAS RN: 2186-24-5

2-P-TOLYLOXYMETHYL-OXIRANE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260301 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2186-24-5
  • Purity/Analytical Methods: >99.0%
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2186-24-5 / 2-[(4-methylphenoxy)methyl]oxirane

Standard CAS: 2186-24-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2186-24-5
Multi CAS
No
Molecular Formula
C10H12O2
Molecular Weight
164.200000
Exact Mass
164.083730
SMILES
CC1=CC=C(C=C1)OCC2CO2
InChI
InChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)11-6-10-7-12-10/h2-5,10H,6-7H2,1H3
InChIKey
CUFXMPWHOWYNSO-UHFFFAOYSA-N

Physical Properties

Boiling Point
498 °F at 760 mmHg (approx.) (USCG, 1999) 170 to 195 °C at 100 mbar
Density
1.09 at 68 °F (USCG, 1999) - Denser than water; will sink 1.14 at 25 °C
Physical Description
Cresyl glycidyl ether is a colorless liquid. Sinks and mixes with water. (USCG, 1999) Clear colorless liquid; [HSDB]
Appearance
Clear, colorless Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
46.41
TPSA
21.76

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
2
Consensus LogP
1.78
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.46

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
2

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