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CAS 311321-19-4 3-AMINO-3-(4-ISOPROPOXY-PHENYL)-PROPIONIC ACID molecular structure lightbox
CAS RN: 311321-19-4

3-AMINO-3-(4-ISOPROPOXY-PHENYL)-PROPIONIC ACID

  • Product code: SSC-136392
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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 311321-19-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

311321-19-4 / (3R)-3-amino-3-(4-propan-2-yloxyphenyl)propanoic acid

Standard CAS: 311321-19-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
311321-19-4
Multi CAS
Yes
Molecular Formula
C12H17NO3
Molecular Weight
223.270000
Exact Mass
223.120843
InChI
InChI=1S/C12H17NO3/c1-8(2)16-10-5-3-9(4-6-10)11(13)7-12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H,14,15)
InChIKey
GQJOHIGVBBGCRS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.39
TPSA
72.55

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
-0.6
Consensus LogP
1.02
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

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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