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CAS 318270-06-3 AMINO-(2-ETHOXY-NAPHTHALEN-1-YL)-ACETIC ACID molecular structure lightbox
CAS RN: 318270-06-3

AMINO-(2-ETHOXY-NAPHTHALEN-1-YL)-ACETIC ACID

  • Product code: SSC-137278
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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 318270-06-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

318270-06-3 / 2-amino-2-(2,5-dimethoxyphenyl)acetic acid

Standard CAS: 318270-06-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
318270-06-3
Multi CAS
Yes
Molecular Formula
C10H13NO4
Molecular Weight
211.210000
Exact Mass
211.084458
InChI
InChI=1S/C14H15NO3/c1-2-18-11-8-7-9-5-3-4-6-10(9)12(11)13(15)14(16)17/h3-8,13H,2,15H2,1H3,(H,16,17)
InChIKey
IBEKXJPEGUNTAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.11
TPSA
81.78

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
-1.8
Consensus LogP
-0.11
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

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

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