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CAS 5904-89-2 2-[(2-ISOPROPYLPHENOXY)METHYL]OXIRANE molecular structure lightbox
CAS RN: 5904-89-2

2-[(2-ISOPROPYLPHENOXY)METHYL]OXIRANE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250629 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5904-89-2
  • Purity/Analytical Methods: >99.0%
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5904-89-2 / 2-[(2-propan-2-ylphenoxy)methyl]oxirane

Standard CAS: 5904-89-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5904-89-2
Multi CAS
No
Molecular Formula
C12H16O2
Molecular Weight
192.250000
Exact Mass
192.115030
InChI
InChI=1S/C12H16O2/c1-9(2)11-5-3-4-6-12(11)14-8-10-7-13-10/h3-6,9-10H,7-8H2,1-2H3
InChIKey
RTJWCOIBFLXONL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
55.77
TPSA
21.76

LogP / Solubility

WLOGP
2.59
MLOGP
2.28
XLogP3
2.7
Consensus LogP
2.52
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly 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)
-2.06

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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