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CAS 72224-25-0 2-(4-(oxiran-2-ylmethoxy)phenyl)acetic acid molecular structure lightbox
CAS RN: 72224-25-0

2-(4-(oxiran-2-ylmethoxy)phenyl)acetic acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250803 50mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS72224-25-0
  • Purity/Analytical Methods: >99.0%
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72224-25-0 / 2-[4-(oxiran-2-ylmethoxy)phenyl]acetic acid

Standard CAS: 72224-25-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72224-25-0
Multi CAS
No
Molecular Formula
C11H12O4
Molecular Weight
208.210000
Exact Mass
208.073559
InChI
InChI=1S/C11H12O4/c12-11(13)5-8-1-3-9(4-2-8)14-6-10-7-15-10/h1-4,10H,5-7H2,(H,12,13)
InChIKey
PAYGWDOCZMSKLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.02
TPSA
59.06

LogP / Solubility

WLOGP
1.09
MLOGP
0.96
XLogP3
1.3
Consensus LogP
1.12
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-3.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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