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CAS 50463-48-4 3-[4-(BENZYLOXY)PHENYL]PROPIONIC ACID molecular structure lightbox
CAS RN: 50463-48-4

3-[4-(BENZYLOXY)PHENYL]PROPIONIC ACID

  • Product code: SSC-157011
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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: ＞97%
  • 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 50463-48-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

50463-48-4 / 3-(4-phenylmethoxyphenyl)propanoic acid

Standard CAS: 50463-48-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50463-48-4
Multi CAS
Yes
Molecular Formula
C16H16O3
Molecular Weight
256.300000
Exact Mass
256.109944
InChI
InChI=1S/C16H16O3/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,17,18)
InChIKey
QTSAUVQZNADEKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.17
TPSA
46.53

LogP / Solubility

WLOGP
3.28
MLOGP
2.9
XLogP3
3
Consensus LogP
3.06
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
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)
-1.95

Drug-likeness / Medicinal Chemistry

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

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