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CAS 92256-74-1 2-acetaMido-3-(6-Methoxy-1H-indol-3-yl)propanoic acid molecular structure lightbox
CAS RN: 92256-74-1

2-acetaMido-3-(6-Methoxy-1H-indol-3-yl)propanoic acid

  • Product code: SSC-205823
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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 92256-74-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

92256-74-1 / 2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid

Standard CAS: 92256-74-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
92256-74-1
Multi CAS
No
Molecular Formula
C14H16N2O4
Molecular Weight
276.290000
Exact Mass
276.111007
InChI
InChI=1S/C14H16N2O4/c1-8(17)16-13(14(18)19)5-9-7-15-12-6-10(20-2)3-4-11(9)12/h3-4,6-7,13,15H,5H2,1-2H3,(H,16,17)(H,18,19)
InChIKey
MZMKEFNVSOYDFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
73.8
TPSA
91.42

LogP / Solubility

WLOGP
1.31
MLOGP
1.16
XLogP3
1
Consensus LogP
1.16
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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