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CAS 88208-17-7 2-Acetamido-3-(6-(benzyloxy)-1H-indol-3-yl)propanoic acid molecular structure lightbox
CAS RN: 88208-17-7

2-Acetamido-3-(6-(benzyloxy)-1H-indol-3-yl)propanoic acid

  • Product code: SSC-198740
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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 88208-17-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

88208-17-7 / 2-acetamido-3-(6-phenylmethoxy-1H-indol-3-yl)propanoic acid

Standard CAS: 88208-17-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88208-17-7
Multi CAS
No
Molecular Formula
C20H20N2O4
Molecular Weight
352.400000
Exact Mass
352.142307
InChI
InChI=1S/C20H20N2O4/c1-13(23)22-19(20(24)25)9-15-11-21-18-10-16(7-8-17(15)18)26-12-14-5-3-2-4-6-14/h2-8,10-11,19,21H,9,12H2,1H3,(H,22,23)(H,24,25)
InChIKey
WFRFQYVFTQJFJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
3
Molar refractivity
98.02
TPSA
91.42

LogP / Solubility

WLOGP
2.88
MLOGP
2.55
XLogP3
2.5
Consensus LogP
2.64
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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