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CAS 56911-49-0 2-(3-BENZYLOXYPHENYL)PROPIONIC ACID molecular structure lightbox
CAS RN: 56911-49-0

2-(3-BENZYLOXYPHENYL)PROPIONIC ACID

  • Product code: SSC-164953
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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: 1g
  • 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 56911-49-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

56911-49-0 / 2-(3-phenylmethoxyphenyl)propanoic acid

Standard CAS: 56911-49-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56911-49-0
Multi CAS
No
Molecular Formula
C16H16O3
Molecular Weight
256.300000
Exact Mass
256.109944
InChI
InChI=1S/C16H16O3/c1-12(16(17)18)14-8-5-9-15(10-14)19-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,17,18)
InChIKey
QTVCXUJSHZJQHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.27
TPSA
46.53

LogP / Solubility

WLOGP
3.45
MLOGP
3.05
XLogP3
3.2
Consensus LogP
3.23
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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)
-1.83

Drug-likeness / Medicinal Chemistry

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

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