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CAS 5181-11-3 (2′-METHOXY-BIPHENYL-4-YL)-ACETIC ACID molecular structure lightbox
CAS RN: 5181-11-3

(2′-METHOXY-BIPHENYL-4-YL)-ACETIC ACID

  • Product code: SSC-158834
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5181-11-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

5181-11-3 / 2-[4-(2-methoxyphenyl)phenyl]acetic acid

Standard CAS: 5181-11-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5181-11-3
Multi CAS
No
Molecular Formula
C15H14O3
Molecular Weight
242.270000
Exact Mass
242.094294
InChI
InChI=1S/C15H14O3/c1-18-14-5-3-2-4-13(14)12-8-6-11(7-9-12)10-15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKey
JZJOTHHEMRLHTF-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
69.77
TPSA
46.53

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
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)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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