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CAS 5555-13-5 alpha-(4-Biphenylyloxy)propionic acid molecular structure lightbox
CAS RN: 5555-13-5

alpha-(4-Biphenylyloxy)propionic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260508 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5555-13-5
  • Purity/Analytical Methods: >99.0%
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5555-13-5 / 2-(4-phenylphenoxy)propanoic acid

Standard CAS: 5555-13-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5555-13-5
Multi CAS
Yes
Molecular Formula
C15H14O3
Molecular Weight
242.270000
Exact Mass
242.094294
InChI
InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)
InChIKey
FUPGQEMJIGUBGO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.6
TPSA
46.53

LogP / Solubility

WLOGP
3.21
MLOGP
2.83
XLogP3
3.3
Consensus LogP
3.11
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

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

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